Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | AHR | P35869 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 4/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | GPR35 | Q9HC97 | 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 | |
|---|---|---|---|---|
| SCHEMBL1344881 | 0.97 | CYP3A4 (0.50) | CYP3A4MAPK1TRPV4HPGDTSHR | |
| SCHEMBL6081126 | 0.84 | CYP3A4 (0.43) | CYP3A4MAPK1TRPV4HPGDALDH1A1 | |
| SCHEMBL31621320 | 0.80 | MAPK1 (0.48) | CYP3A4MAPK1TRPV4HPGDALDH1A1 | |
| SCHEMBL10946030 | 0.80 | MAPK1 (0.48) | CYP3A4MAPK1TRPV4HPGDALDH1A1 | |
| SCHEMBL31621319 | 0.80 | MAPK1 (0.48) | CYP3A4MAPK1TRPV4HPGDALDH1A1 | |
| SCHEMBL7826866 | 0.78 | CYP3A4 (0.46) | CYP3A4MAPK1TRPV4HPGDTSHR | |
| SCHEMBL6082210 | 0.78 | MAPK1 (0.46) | CYP3A4MAPK1TRPV4HPGDALDH1A1 | |
| SCHEMBL8664291 | 0.76 | TRPV4 (0.38) | CYP3A4MAPK1TRPV4ALDH1A1VCAM1 | |
| SCHEMBL11309680 | 0.76 | CYP3A4 (0.38) | CYP3A4MAPK1TRPV4HPGDTSHR | |
| SCHEMBL11687207 | 0.76 | ALDH1A1 (0.39) | CYP3A4MAPK1TRPV4HPGDALDH1A1 |
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-5200548-A | Intermediates for bactericides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-04-06 | — | — | US | claimed |