Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SRC | P12931 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11040095 | 0.80 | LMNA (0.42) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11041160 | 0.79 | SRC (0.55) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| Phosphoric Acid SCHEMBL5253926 | 0.78 | GAA (0.51) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL11042019 | 0.76 | ALDH1A1 (0.53) | CYP3A4SMN1; SMN2HTTCA2MAPT | |
| SCHEMBL29505096 | 0.76 | ALDH1A1 (0.53) | CYP3A4SMN1; SMN2HTTCA2MAPT | |
| SCHEMBL2173776 | 0.75 | CA2 (0.62) | CYP2C9CYP2C19CA2CA4CA5A | |
| Hydrochloric Acid SCHEMBL17493635 | 0.75 | ALDH1A1 (0.52) | CYP3A4SMN1; SMN2HTTCA2MAPT | |
| SCHEMBL10417312 | 0.74 | CYP1A2 (0.62) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 | |
| SCHEMBL10849592 | 0.74 | CA2 (0.56) | CA2CA4CA5AALDH1A1KDM4E | |
| SCHEMBL11773246 | 0.73 | TTR (0.68) | CYP1A2CYP2C9CYP2C19CYP3A4SMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4230618-A | CELLULOSE | ICI UNITED STATES, INC. (US) | 1980-10-28 | — | — | US | claimed |
| US-4472308-A | Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group | ICI UNITED STATES, INC. (US) | 1984-09-18 | — | — | US | disclosed |
| US-4230618-A | CELLULOSE | ICI UNITED STATES, INC. (US) | 1980-10-28 | — | — | US | disclosed |
| US-4225491-A | REACTIVE DYES FOR COTTON | ICI UNITED STATES, INC. (US) | 1980-09-30 | — | — | US | disclosed |