Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SHBG | P04278 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6437481 | 0.76 | SHBG (0.46) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2899477 | 0.69 | KDM4E (0.33) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10754202 | 0.69 | KDM4E (0.33) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL3101103 | 0.69 | SHBG (0.41) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16287560 | 0.68 | SHBG (0.44) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2700537 | 0.68 | SHBG (0.44) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11853870 | 0.68 | SHBG (0.44) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16286822 | 0.68 | SHBG (0.44) | SHBGCYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11848680 | 0.67 | — | — | |
| SCHEMBL16287565 | 0.66 | SHBG (0.41) | SHBGCYP1A2CYP2D6CYP2C19 |
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-6037097-A | A CYCLIC ALIPHATIC KETAL SUBSTITUENT E.G. METHOXYCYCLOHEXANYL AS AN ACID-LABILE PROTECTING GROUP FOR AN AQUEOUS BASE SOLUBLE POLYMER, E.G. A POLYHYDROXYSTYRENE; SHELF-LIFE; VACUUM STABILITY | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2000-03-14 | — | — | US | claimed |