Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | PTGIR | P43119 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 3/20 | 0.33 |
| ▸ | MMP9 | P14780 | 3/20 | 0.33 |
| ▸ | MMP12 | P39900 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 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 | |
|---|---|---|---|---|
| SCHEMBL6728489 | 0.79 | ALDH1A1 (0.47) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL10978382 | 0.78 | CYP3A4 (0.40) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL10987291 | 0.78 | CYP3A4 (0.44) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL8942826 | 0.77 | ALDH1A1 (0.61) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL161063 | 0.75 | CYP3A4 (0.50) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL30568788 | 0.74 | CYP3A4 (0.40) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL9462259 | 0.74 | CYP3A4 (0.51) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL484026 | 0.74 | CYP3A4 (0.40) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL1493132 | 0.73 | CYP3A4 (0.53) | CYP3A4TDP1ALDH1A1HPGDTRPA1 | |
| SCHEMBL10316751 | 0.73 | ALDH1A1 (0.55) | CYP3A4TDP1ALDH1A1HPGDTRPA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0017883-B1 | SULPHUR-CONTAINING DIISOCYANATES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNTHESIS COMPONENTS TO PREPARE POLYURETHANES | BAYER AG (DE) | 1981-10-21 | — | — | EP | disclosed |
| EP-0017883-A1 | Sulphur-containing diisocyanates, a process for their preparation and their use as synthesis components to prepare polyurethanes | BAYER AG (DE) | 1980-10-29 | — | — | EP | disclosed |