Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.33 |
| ▸ | GRK2 | P25098 | 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 | |
|---|---|---|---|---|
| SCHEMBL9352809 | 0.80 | PSIP1 (0.62) | ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1 | |
| SCHEMBL3645676 | 0.80 | CA2 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1 | |
| SCHEMBL3060869 | 0.80 | PSIP1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1 | |
| SCHEMBL9352902 | 0.77 | CA2 (0.58) | ALDH1A1CYP2C19PSIP1CA2KMT2A | |
| SCHEMBL426162 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL7035999 | 0.76 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL5974400 | 0.75 | CA2 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL1149166 | 0.75 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL3514586 | 0.75 | PLCG1 (0.61) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 | |
| SCHEMBL1148799 | 0.75 | KMT2A (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1991010709-A1 | WATER-SOLUBLE DYES WHICH REACT WITH FIBRES, PROCESS FOR PRODUCING THEM AND THEIR USE | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-25 | — | — | WO | disclosed |