Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CRHBP | P24387 | 1/20 | 0.48 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5487654 | 1.00 | CYP1A2 (0.62) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5487655 | 1.00 | CYP1A2 (0.62) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| Pyrrole SCHEMBL5494473 | 0.91 | CYP1A2 (0.53) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| Methylpiperazine SCHEMBL5498097 | 0.88 | HPGD (0.56) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5494050 | 0.87 | CYP1A2 (0.49) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5493158 | 0.86 | RAB9A (0.56) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15513969 | 0.86 | CYP1A2 (0.50) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8153633 | 0.85 | ALDH1A1 (0.51) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15513480 | 0.84 | CYP1A2 (0.48) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5489818 | 0.83 | CYP1A2 (0.57) | CYP1A2HSD17B10CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006103527-A1 | AROMATIC SUBSTITUTED PENTADIENOIC ACID AMIDE FOR COMBINATION WITH ANTI-INFECTIVE DRUGS | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2006-10-05 | — | — | WO | disclosed |