Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.53 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.53 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.53 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.53 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.53 |
| ▸ | BCHE | P06276 | 3/20 | 0.47 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7817651 | 0.92 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL20928257 | 0.85 | CHRNB2 (0.47) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL23169304 | 0.83 | — | — | |
| SCHEMBL15862853 | 0.81 | POLB (0.42) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL103494 | 0.80 | — | — | |
| SCHEMBL6361465 | 0.80 | NAAA (0.50) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL2502163 | 0.77 | — | — | |
| SCHEMBL8140520 | 0.77 | NAAA (0.70) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL6361129 | 0.77 | CHRNB2 (0.70) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 | |
| SCHEMBL1768014 | 0.77 | NAAA (0.65) | CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4 |
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-3694506-B1 | NOVEL SUBSTITUTED PHENYLOXETANE AND PHENYLTETRAHYDROFURAN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS | MERCK SHARP & DOHME LLC (US) | 2023-08-02 | — | — | EP | claimed |
| WO-2019062435-A1 | USE OF TRIAZOLOPYRIMIDINE, TRIAZOLOPYRIDINE COMPOUNDS AND COMPOSITION THEREOF FOR TREATING PRC2-MEDIATED DISEASES | 中国科学院上海药物研究所 | 2019-04-04 | — | — | WO | disclosed |