Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.31 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.30 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MMP14 | P50281 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 1/20 | 0.30 |
| ▸ | CASP6 | P55212 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7461062 | 0.92 | ALDH1A1 (0.39) | ALDH1A1KDRAURKB | |
| SCHEMBL7456337 | 0.84 | — | — | |
| SCHEMBL7456616 | 0.82 | PTGER4 (0.36) | ALDH1A1 | |
| SCHEMBL7465461 | 0.81 | GSK3B (0.33) | AURKB | |
| SCHEMBL6572728 | 0.80 | FCGR3B (0.38) | ALDH1A1TDO2MEN1POLBMMP14 | |
| SCHEMBL6572585 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MEN1POLBMMP14BLM | |
| SCHEMBL7457112 | 0.80 | CYP3A4 (0.36) | ALDH1A1 | |
| SCHEMBL6572942 | 0.79 | APP (0.41) | ALDH1A1MEN1POLBMMP14BLM | |
| SCHEMBL6571323 | 0.79 | ALDH1A1 (0.35) | ALDH1A1KDRAURKBMEN1POLB | |
| SCHEMBL6574702 | 0.78 | ABL1 (0.36) | ALDH1A1KDRAURKBMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0963982-B1 | New diaminobenzene derivatives and these componends containing colouring agents | WELLA AG (DE) | 2002-03-13 | — | — | EP | disclosed |
| US-6132475-A | FOR OXIDATION DYEING OF KERATIN FIBERS; INCLUDES COUPLER AND DEVELOPER, IN WHICH THE DEVELOPER IS A SUBSTITUTED 2-(FURYL, THIENYL, PYRROLYL, OR SELENOPHENE) P-DIAMINOBENZENE DERIVATIVE OF GIVEN FORMULA; COLORFASTNESS, WASHFASTNESS | WELLA AKTIENGESELLSCHAFT (DE) | 2000-10-17 | — | — | US | disclosed |
| EP-0963982-A2 | New diaminobenzene derivatives and these componends containing colouring agents | Wella Aktiengesellschaft (DE) | 1999-12-15 | — | — | EP | disclosed |