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 | |
|---|---|---|---|---|
| ▸ | MCL1 known ✓ | Q07820 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | CHAT | P28329 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NSD2 | O96028 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.35 |
| ▸ | BAD | Q92934 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL2024159 | 0.91 | RAB9A (0.49) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL27735453 | 0.81 | RAB9A (0.41) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL2026020 | 0.79 | KDM4E (0.41) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL5679481 | 0.78 | RAB9A (0.46) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL10256820 | 0.77 | RAB9A (0.53) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL9332586 | 0.76 | RAB9A (0.47) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL4609887 | 0.74 | CHAT (0.53) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL11068294 | 0.72 | FFAR4 (0.42) | RAB9ARCE1SMN1; SMN2PKMHTT | |
| SCHEMBL30611103 | 0.68 | RAB9A (0.69) | RAB9ARCE1SMN1; SMN2MAPTPKM | |
| SCHEMBL29462670 | 0.68 | ACHE (0.43) | MAPTKDM4ENSD2POLBKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1037586-B1 | UTILIZATION OF ONIUM ALDEHYDES AND ONIUM KETONES FOR DYING FIBERS CONTAINING KERATIN | HENKEL KGAA (DE) | 2004-12-22 | — | — | EP | disclosed |
| US-6371993-B1 | HAIR DYES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-04-16 | — | — | US | disclosed |