Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | RAB9A | P51151 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | NPC1 | O15118 | 5/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | POLB | P06746 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 6/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12726138 | 0.91 | KDM4E (0.59) | HDAC6CYP1A2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL12726167 | 0.87 | KDM4E (0.58) | CYP1A2KDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL15107970 | 0.87 | MAPT (0.49) | KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT | |
| SCHEMBL12726115 | 0.83 | HDAC6 (0.62) | HDAC6CYP1A2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL12726113 | 0.83 | CYP1A2 (0.63) | HDAC6CYP1A2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15107975 | 0.78 | KDM4E (0.50) | KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT | |
| SCHEMBL12726127 | 0.77 | HDAC6 (0.53) | HDAC6CYP1A2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL12726122 | 0.76 | HDAC6 (0.52) | HDAC6CYP1A2KDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15107973 | 0.76 | KDM4E (0.49) | KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT | |
| SCHEMBL12726045 | 0.76 | ALDH1A1 (0.52) | KDM4ESMN1; SMN2ALDH1A1RAB9AMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (US) | 2013-07-16 | — | — | US | disclosed |
| US-8486936-B2 | Antagonist of smoothened | AllaChem, LLC (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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 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 | HDAC6 450/4885CYP1A2 4552/4885KDM4E 1596/4885 |
“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.