Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DVL1 | O14640 | 1/20 | 0.41 |
| ▸ | CDC25A | P30304 | 4/20 | 0.40 |
| ▸ | CDC25B | P30305 | 4/20 | 0.40 |
| ▸ | CDC25C | P30307 | 4/20 | 0.40 |
| ▸ | DUSP3 | P51452 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 3/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9057948 | 0.75 | DVL1 (0.56) | DVL1CDC25ACDC25BCDC25CDUSP3 | |
| SCHEMBL9063378 | 0.75 | ESR1 (0.41) | DVL1NPC1RAB9AHPGDHSD17B10 | |
| SCHEMBL9056388 | 0.69 | NPC1 (0.38) | MAPTSMN1; SMN2NPC1RAB9AALDH1A1 | |
| SCHEMBL1364723 | 0.66 | ESR1 (0.52) | NPC1RAB9AESR1ESR2MEN1 | |
| SCHEMBL16092839 | 0.66 | POLB (0.46) | CDC25ACDC25BCDC25CDUSP3MAPT | |
| SCHEMBL31173327 | 0.65 | ESR2 (0.57) | ESR1ESR2 | |
| SCHEMBL9055466 | 0.65 | ALDH1A1 (0.46) | DVL1CDC25ACDC25BCDC25CDUSP3 | |
| SCHEMBL4768506 | 0.64 | DRD3 (0.50) | ESR1ESR2 | |
| SCHEMBL1367276 | 0.64 | ESR1 (0.52) | NPC1HPGDCYP3A4CYP2C19ESR1 | |
| SCHEMBL8565812 | 0.64 | NOTUM (0.39) | MAPTSMN1; SMN2ALDH1A1ALOX15HSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1996004271-A1 | CONDENSED AZEPINE DERIVATIVES, DRUGS CONTAINING THESE COMPOUNDS AND METHODS FOR PREPARING THEM | DR. KARL THOMAE GMBH (DE) | 1996-02-15 | — | — | WO | disclosed |