Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.63 |
| ▸ | NPC1 | O15118 | 6/20 | 0.60 |
| ▸ | RAB9A | P51151 | 6/20 | 0.60 |
| ▸ | GAA | P10253 | 3/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 5/20 | 0.58 |
| ▸ | HPGD | P15428 | 4/20 | 0.58 |
| ▸ | TP53 | P04637 | 5/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1494826 | 0.91 | ALDH1A1 (0.62) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1494828 | 0.91 | ALDH1A1 (0.62) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1495011 | 0.87 | KDM4E (0.69) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1494896 | 0.86 | ALDH1A1 (0.71) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL12726066 | 0.86 | ALDH1A1 (0.68) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL12726233 | 0.85 | ALDH1A1 (0.70) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1494878 | 0.83 | KDM4E (0.78) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1494793 | 0.83 | TP53 (0.78) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL4725484 | 0.83 | ALDH1A1 (0.67) | ALDH1A1KDM4EKMT2AMEN1HRH3 | |
| SCHEMBL1494891 | 0.83 | TP53 (0.66) | ALDH1A1KDM4EKMT2AMEN1HRH3 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110053915-A1 | HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM | ALLA CHEM, LLC (US) | 2011-03-03 | — | — | US | claimed |
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486945-B2 | Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system | Ivachtchenko, Alexandre Vasilievich (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486945-B2 | Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system | Ivachtchenko, Alexandre Vasilievich (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486945-B2 | Heterocyclic inhibitors of an Hh-signal cascade, medicinal compositions based thereon and methods for treating diseases caused by the aberrant activity of an Hh-signal system | Ivachtchenko, Alexandre Vasilievich (US) | 2013-07-16 | — | — | US | disclosed |
| US-20110098291-A1 | ANTAGONIST OF SMOOTHENED | Alla Chem Inc. (US) | 2011-04-28 | — | — | US | disclosed |
| US-20110098291-A1 | ANTAGONIST OF SMOOTHENED | Alla Chem Inc. (US) | 2011-04-28 | — | — | US | disclosed |
| US-20110053915-A1 | HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM | ALLA CHEM, LLC (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053915-A1 | HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM | ALLA CHEM, LLC (US) | 2011-03-03 | — | — | US | disclosed |
| US-20110053915-A1 | HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM | ALLA CHEM, LLC (US) | 2011-03-03 | — | — | US | disclosed |
| WO-2010129620-A1 | IMIDAZO [ 1, 2 -A] PYRIDIN-2 -YL-PHENYL DERIVATIVES TO BE USED IN CANCER TREATMENT | ALLA CHEM, LLC (US) | 2010-11-11 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110098291-A1 | ANTAGONIST OF SMOOTHENED | SMO, SHH, GLI1 | ALDH1A1 2639/4885KDM4E 1596/4885KMT2A 868/4885 |
| US-20110053915-A1 | HETEROCYCLIC INHIBITORS OF AN Hh-SIGNAL CASCADE, MEDICINAL COMPOSITIONS BASED THEREON AND METHODS FOR TREATING DISEASES CAUSED BY THE ABERRANT ACTIVITY OF AN Hh-SIGNAL SYSTEM | SHH, SMO, GLI1 | ALDH1A1 410/4885KDM4E 2294/4885KMT2A 1623/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.