Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | KHK | P50053 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | LIPE | Q05469 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8672245 | 0.99 | TP53 (0.35) | TP53KHKSMN1; SMN2LIPE | |
| SCHEMBL8666752 | 0.87 | TP53 (0.45) | TP53SMN1; SMN2LIPE | |
| SCHEMBL8672042 | 0.87 | SMN1; SMN2 (0.35) | TP53SMN1; SMN2LIPECYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL8669172 | 0.85 | HRH3 (0.35) | SMN1; SMN2CYP2D6 | |
| SCHEMBL8671552 | 0.81 | KMT2A (0.36) | SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR | |
| Hydrochloric Acid SCHEMBL8669965 | 0.80 | SMN1; SMN2 (0.35) | SMN1; SMN2CYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL8668496 | 0.76 | CYP2D6 (0.38) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL8669847 | 0.70 | TP53 (0.38) | TP53KHK | |
| Hydrochloric Acid SCHEMBL8670989 | 0.69 | TP53 (0.38) | TP53KHK | |
| Hydrochloric Acid SCHEMBL8482562 | 0.66 | KMT2A (0.41) | KHKCYP2C9CYP2C19 |
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-5814636-A | TREATMENT AND PROPHYLAXIS OF THROMBOTIC DISEASES | MEIJI SEIKA KABUSHIKI KAISHA (JP) | 1998-09-29 | — | — | US | disclosed |