Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6549859 | 1.00 | CYP3A4 (0.38) | CYP3A4TSHRALDH1A1THRBHPGD | |
| SCHEMBL5438026 | 0.90 | NPC1 (0.37) | CYP3A4TSHRALDH1A1THRBHPGD | |
| SCHEMBL5173935 | 0.90 | NPC1 (0.37) | CYP3A4TSHRALDH1A1THRBHPGD | |
| SCHEMBL461180 | 0.86 | APP (0.38) | CYP3A4ALDH1A1HPGDALOX15HSD17B10 | |
| SCHEMBL461181 | 0.86 | APP (0.38) | CYP3A4ALDH1A1HPGDALOX15HSD17B10 | |
| Hydrochloric Acid SCHEMBL6750536 | 0.85 | APP (0.37) | ALDH1A1MAPTRAB9A | |
| Hydrochloric Acid SCHEMBL6750531 | 0.85 | APP (0.37) | ALDH1A1MAPTRAB9A | |
| SCHEMBL6549279 | 0.83 | ALDH1A1 (0.39) | CYP3A4TSHRALDH1A1THRBALOX15 | |
| SCHEMBL6549280 | 0.83 | ALDH1A1 (0.39) | CYP3A4TSHRALDH1A1THRBALOX15 | |
| SCHEMBL6549321 | 0.82 | ALDH1A1 (0.38) | CYP3A4TSHRALDH1A1THRBHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6699296-B2 | Mixture containing phenylenediamine developer | WELLA AKTIENGESELLSCHAFT (DE) | 2004-03-02 | — | — | US | claimed |
| EP-1183227-B1 | P-DIAMINOBENZENE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2004-02-04 | — | — | EP | claimed |
| US-20030145764-A1 | P-diaminobenzene derivatives and dyes containing said compounds | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2003-08-07 | — | — | US | claimed |
| US-6699296-B2 | Mixture containing phenylenediamine developer | WELLA AKTIENGESELLSCHAFT (DE) | 2004-03-02 | — | — | US | disclosed |
| US-20030145764-A1 | P-diaminobenzene derivatives and dyes containing said compounds | WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) | 2003-08-07 | — | — | US | disclosed |