Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.61 |
| ▸ | MAPT | P10636 | 8/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | HPGD | P15428 | 6/20 | 0.58 |
| ▸ | NPC1 | O15118 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 7/20 | 0.55 |
| ▸ | POLB | P06746 | 4/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL12726113 | 0.90 | CYP1A2 (0.63) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12765101 | 0.86 | KDM4E (0.56) | KDM4EMAPK1SMN1; SMN2MAPTTP53 | |
| SCHEMBL12726127 | 0.85 | HDAC6 (0.53) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12726152 | 0.83 | KDM4E (0.65) | KDM4EMAPK1SMN1; SMN2MAPTTP53 | |
| SCHEMBL12726150 | 0.83 | HDAC6 (0.53) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12726122 | 0.83 | HDAC6 (0.52) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12726138 | 0.83 | KDM4E (0.59) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12726128 | 0.81 | HDAC6 (0.48) | HDAC6KDM4EMAPK1SMN1; SMN2MAPT | |
| SCHEMBL12765096 | 0.79 | KDM4E (0.55) | KDM4ESMN1; SMN2MAPTTP53CYP1A2 | |
| SCHEMBL12765295 | 0.79 | ALDH1A1 (0.54) | KDM4EMAPTTP53ALDH1A1HPGD |
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 2 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-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 450/4885KDM4E 1596/4885MAPK1 1257/4885 |
“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.