Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.59 |
| ▸ | IDO1 | P14902 | 2/20 | 0.49 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10435945 | 0.88 | CYP2C19 (0.52) | CYP2C19IDO1HPGDALDH1A1SMN1; SMN2 | |
| SCHEMBL10435948 | 0.82 | MAOA (0.54) | CYP2C19IDO1HPGDALDH1A1SMN1; SMN2 | |
| Aminobenzoic Acid SCHEMBL11200802 | 0.80 | CYP2C19 (0.47) | CYP2C19IDO1HPGDALDH1A1SMN1; SMN2 | |
| Succinic Acid SCHEMBL11863609 | 0.79 | CYP2C19 (0.73) | CYP2C19IDO1PTGER1PTGER4PTGER3 | |
| SCHEMBL5180190 | 0.79 | CYP2C19 (0.79) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL713206 | 0.77 | CYP2C19 (0.76) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL4088646 | 0.76 | CYP2C19 (0.57) | CYP2C19IDO1PTGER1PTGER4PTGER3 | |
| SCHEMBL3938443 | 0.76 | CYP2C19 (0.73) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL1585162 | 0.76 | CYP2C19 (0.73) | CYP2C19PTGER1PTGER4PTGER3PTGER2 | |
| SCHEMBL68470 | 0.76 | CYP2C19 (0.68) | CYP2C19IDO1HPGDALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4085217-A | DERIVATIVES OF CYSTEINE OR CYSTEAMINE | L'OREAL (FR) | 1978-04-18 | — | — | US | disclosed |