Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.47 |
| ▸ | F2 | P00734 | 1/20 | 0.47 |
| ▸ | PLG | P00747 | 1/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | C1S | P09871 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | ENPEP | Q07075 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.43 |
| ▸ | CA3 | P07451 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3690716 | 0.83 | CA2 (0.61) | ALDH1A1TP53TSHRSRD5A2F2 | |
| SCHEMBL2401022 | 0.79 | ALDH1A1 (0.57) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| SCHEMBL1063942 | 0.79 | ALDH1A1 (0.52) | ALDH1A1TP53TSHRSRD5A2F2 | |
| SCHEMBL276932 | 0.78 | CA2 (0.62) | ALDH1A1TP53TSHRSRD5A2KMT2A | |
| Hydrochloric Acid SCHEMBL7287603 | 0.78 | F2 (0.55) | ALDH1A1TP53TSHRSRD5A2F2 | |
| SCHEMBL13037473 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRSRD5A2F2 | |
| SCHEMBL28329860 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRSRD5A2F2 | |
| SCHEMBL3701685 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRSRD5A2ANPEP | |
| SCHEMBL13381339 | 0.76 | TSHR (0.54) | ALDH1A1TP53TSHRSRD5A2POLB | |
| SCHEMBL2733920 | 0.76 | ALDH1A1 (0.48) | ALDH1A1TP53TSHRSRD5A2F2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005092899-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2005-10-06 | — | — | WO | disclosed |
| WO-2004069823-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2004-08-19 | — | — | WO | disclosed |
| WO-2003024448-A2 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2003-03-27 | — | — | WO | disclosed |