Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.42 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ERN1 | O75460 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9838887 | 0.85 | ALDH1A1 (0.52) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL10384781 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL8974313 | 0.80 | HTT (0.57) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL598073 | 0.77 | CYP1A2 (0.55) | ALDH1A1TSHRLMNACYP2A6CYP1A2 | |
| SCHEMBL29845550 | 0.77 | CYP1A2 (0.55) | ALDH1A1TSHRLMNACYP2A6CYP1A2 | |
| SCHEMBL2184850 | 0.74 | CYP1A2 (0.59) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL19308940 | 0.72 | CYP1A2 (0.48) | ALDH1A1TSHRLMNATDP1CYP2A6 | |
| SCHEMBL16705640 | 0.72 | HTT (0.47) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL29786760 | 0.71 | KMT2A (0.61) | ALDH1A1TSHRMCL1MEN1LMNA | |
| SCHEMBL982388 | 0.71 | KMT2A (0.61) | ALDH1A1TSHRMCL1MEN1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-1681470-A | Agent for dyeing keratinous fibres | HENKEL KGAA (DE) | 2005-10-12 | — | — | CN | disclosed |
| EP-0124992-B1 | HERBICIDAL CYCLOHEXANE-1,3-DIONE DERIVATIVES | ICI AUSTRALIA LIMITED (AU) | 1991-05-29 | — | — | EP | disclosed |
| US-4680400-A | Herbicidal cyclohexane-1,3-dione-5-isoquinoline derivatives | ICI AUSTRALIA LIMITED (AU) | 1987-07-14 | — | — | US | disclosed |
| US-4640708-A | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1987-02-03 | — | — | US | disclosed |
| EP-0124992-A1 | Herbicidal cyclohexane-1,3-dione derivatives | ICI AUSTRALIA LIMITED (AU) | 1984-11-14 | — | — | EP | disclosed |