Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | TDO2 | P48775 | 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 | |
|---|---|---|---|---|
| SCHEMBL7800711 | 0.85 | NPC1 (0.36) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7800933 | 0.78 | NPC1 (0.38) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7807264 | 0.77 | AR (0.39) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7807697 | 0.77 | ALDH1A1 (0.36) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7808501 | 0.77 | NPC1 (0.39) | NPC1RAB9AATMALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL7807540 | 0.77 | NPC1 (0.38) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7453253 | 0.76 | CYP2A6 (0.43) | MAPTHSD17B10SLC6A9KMT2ATDO2 | |
| SCHEMBL6136944 | 0.75 | ADORA2A (0.41) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7812161 | 0.75 | RAB9A (0.41) | NPC1RAB9AATMALDH1A1MAPT | |
| SCHEMBL7812480 | 0.73 | CDK2 (0.32) | — |
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-0943614-B1 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | WELLA AG (DE) | 2001-12-12 | — | — | EP | disclosed |
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |
| EP-0943614-A2 | Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives | Wella Aktiengesellschaft (DE) | 1999-09-22 | — | — | EP | disclosed |