Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL17015131 | 0.77 | KCNN4 (0.41) | TRPA1SIGMAR1CYP1A2CYP2A6MAPT | |
| SCHEMBL19574252 | 0.77 | TRPA1 (0.40) | TRPA1SIGMAR1CYP1A2CYP2A6MAPT | |
| SCHEMBL11896057 | 0.75 | SLC6A2 (0.40) | TRPA1SIGMAR1CYP1A2CYP2A6MAPT | |
| SCHEMBL93983 | 0.75 | IDO1 (0.58) | TRPA1SIGMAR1CYP1A2MAPTCYP2C19 | |
| SCHEMBL1145559 | 0.73 | TP53 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19NPC1 | |
| SCHEMBL18922609 | 0.73 | KMT2A (0.43) | CYP1A2CYP2A6MAPTCYP3A4CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL793693 | 0.73 | IDO1 (0.56) | TRPA1SIGMAR1CYP1A2MAPTCYP2C19 | |
| SCHEMBL12303991 | 0.72 | TRPA1 (0.40) | TRPA1CYP1A2CYP2A6MAPTCYP3A4 | |
| SCHEMBL3790563 | 0.71 | TRPA1 (0.43) | TRPA1SIGMAR1CYP1A2CYP2A6MAPT | |
| SCHEMBL3789458 | 0.71 | KMT2A (0.41) | CYP1A2MAPTSMN1; SMN2ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1720545-B1 | BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES | CHEMOCENTRYX INC (US) | 2014-10-29 | — | — | EP | disclosed |