Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277829 | 0.92 | CYP2D6 (0.58) | SIGMAR1KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7277833 | 0.92 | CYP2D6 (0.58) | SIGMAR1KMT2ACYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27695649 | 0.85 | SIGMAR1 (0.51) | SIGMAR1KMT2ATSHRMEN1OPRK1 | |
| Hydrochloric Acid SCHEMBL8617614 | 0.85 | SIGMAR1 (0.51) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL29060375 | 0.84 | ALDH1A1 (0.62) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL2398120 | 0.84 | KMT2A (0.66) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL8065362 | 0.84 | ALDH1A1 (0.62) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL2398115 | 0.84 | KMT2A (0.66) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| SCHEMBL8349459 | 0.84 | ALDH1A1 (0.62) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL28019583 | 0.82 | ALDH1A1 (0.60) | SIGMAR1KMT2ATSHRMEN1ALDH1A1 |
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-2419433-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120621-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-10-21 | — | — | WO | disclosed |