Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 10/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 10/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7808600 | 0.88 | HDAC2 (0.39) | NPC1RAB9AATMKCNH2MAPT | |
| SCHEMBL7807514 | 0.82 | NPC1 (0.41) | NPC1RAB9AATMKCNH2MAPT | |
| SCHEMBL7691074 | 0.81 | S100B (0.34) | HDAC1HDAC2HDAC3 | |
| SCHEMBL7808585 | 0.77 | KCNH2 (0.46) | NPC1RAB9AATMKCNH2MAPT | |
| SCHEMBL7812246 | 0.76 | NR3C1 (0.36) | NPC1RAB9AATMKCNH2MAPT | |
| SCHEMBL7459974 | 0.76 | KCNH2 (0.39) | KCNH2MAPTHDAC1SLC6A9 | |
| SCHEMBL7805917 | 0.76 | LMNA (0.42) | NPC1RAB9AKCNH2MAPTKDM4E | |
| SCHEMBL6572636 | 0.76 | CRHR1 (0.34) | — | |
| SCHEMBL6573203 | 0.76 | ALDH1A1 (0.34) | MAPTHDAC1HDAC2ALDH1A1GAA | |
| SCHEMBL6572502 | 0.76 | S100B (0.40) | MAPTKDM4ELMNAHPGDALDH1A1 |
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 |