Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5016234 | 0.88 | ALDH1A1 (0.40) | CYP3A4TDP1CD44TAAR1ALDH1A1 | |
| SCHEMBL12323449 | 0.85 | PKM (0.46) | CYP3A4TDP1ALDH1A1KDM4EHPGD | |
| SCHEMBL10885240 | 0.84 | CYP3A4 (0.46) | CYP3A4TDP1CD44TAAR1ALDH1A1 | |
| SCHEMBL10799437 | 0.83 | SKP2 (0.49) | CYP3A4TDP1CD44TAAR1ALDH1A1 | |
| SCHEMBL6206260 | 0.79 | CYP3A4 (0.52) | CYP3A4TDP1CD44TAAR1ALDH1A1 | |
| SCHEMBL10510941 | 0.79 | TDP1 (0.48) | CYP3A4TDP1CD44TAAR1ALDH1A1 | |
| SCHEMBL10805311 | 0.79 | POLB (0.39) | CYP3A4TDP1ALDH1A1KDM4E | |
| SCHEMBL27509240 | 0.78 | CALM1 (0.52) | CYP3A4TDP1ALDH1A1TSHRTP53 | |
| SCHEMBL10799884 | 0.77 | DHFR (0.39) | CYP3A4TDP1ALDH1A1 | |
| SCHEMBL12323447 | 0.76 | DHFR (0.46) | CYP3A4ALDH1A1TSHRTP53CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4698424-A | POLYURETHANE LACQUERS | BAYER AKTIENGESELLSCHAFT (DE) | 1987-10-06 | — | — | US | disclosed |
| EP-0105146-B1 | PROCESS FOR PREPARATION OF DIAMINES OR MIXTURES OF DIAMINES | BAYER AG (DE) | 1985-12-18 | — | — | EP | disclosed |
| EP-0113043-A1 | Diisocyanates or mixtures of diisocyanates, method for their preparation and their use in the prepration of synthetic materials of the polyurethane type | BAYER AG (DE) | 1984-07-11 | — | — | EP | disclosed |
| EP-0105146-A1 | Process for preparation of diamines or mixtures of diamines | BAYER AG (DE) | 1984-04-11 | — | — | EP | disclosed |
| EP-0104551-A1 | Cycloaliphatic diisocyanates, possibly in the form of a mixture of isomers, method for their preparation and their use as starting products in the preparation of synthetic products of the polyurethane type | BAYER AG (DE) | 1984-04-04 | — | — | EP | disclosed |