Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | STS | P08842 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4625530 | 0.89 | ALDH1A1 (0.61) | ALDH1A1SRD5A2HPGDLMNARAB9A | |
| Iodide SCHEMBL6847918 | 0.87 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HPGDLMNARAB9A | |
| Hydrochloric Acid SCHEMBL28551672 | 0.87 | ALDH1A1 (0.58) | ALDH1A1SRD5A2HPGDLMNARAB9A | |
| Benzophenone SCHEMBL28662703 | 0.83 | ALDH1A1 (0.64) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL330485 | 0.81 | APOBEC3A (0.64) | CA12CA2CA9APOBEC3AAPOBEC3G | |
| SCHEMBL6583952 | 0.76 | PTGS2 (0.65) | ALDH1A1CA12CA1CA2CA9 | |
| Sulfuric Acid SCHEMBL5345728 | 0.75 | APOBEC3A (0.61) | ALDH1A1CA12CA2CA9APOBEC3A | |
| Benzophenone SCHEMBL27919557 | 0.75 | ALDH1A1 (0.70) | ALDH1A1CA12CA1CA2CA9 | |
| Sulfuric Acid SCHEMBL2386162 | 0.75 | APOBEC3A (0.67) | ALDH1A1CA12CA2CA9TDP1 | |
| Benzophenone SCHEMBL2336602 | 0.74 | ALDH1A1 (0.78) | ALDH1A1SRD5A2HPGDLMNARAB9A |
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-1139990-B1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KGAA (DE) | 2004-05-06 | — | — | EP | disclosed |
| EP-1139990-A1 | AGENT FOR DYING KERATIN FIBERS | Henkel Kommanditgesellschaft auf Aktien (DE) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000038635-A1 | AGENT FOR DYING KERATIN FIBERS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2000-07-06 | — | — | WO | disclosed |