Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL11255786 | 0.91 | ALDH1A1 (0.39) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11265329 | 0.90 | ALDH1A1 (0.38) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11251517 | 0.89 | ALDH1A1 (0.37) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11256316 | 0.88 | PTPN1 (0.40) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11263380 | 0.88 | ALDH1A1 (0.42) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11259487 | 0.87 | ALDH1A1 (0.41) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11257131 | 0.87 | TP53 (0.43) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11261427 | 0.84 | CYP2C19 (0.41) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11271170 | 0.82 | ALDH1A1 (0.36) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11261138 | 0.81 | ALDH1A1 (0.37) | ALDH1A1LMNACYP1A2CYP2D6CYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4364865-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1982-12-21 | — | — | US | claimed |
| US-4364865-A | ANTIBIOTICS | CIBA-GEIGY CORPORATION (US) | 1982-12-21 | — | — | US | disclosed |
| US-4070477-A | PENICILLINS | CIBA-GEIGY CORPORATION (US) | 1978-01-24 | — | — | US | disclosed |