Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 5/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.43 |
| ▸ | FEN1 | P39748 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071027 | 0.79 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL2449876 | 0.76 | ALOX15 (0.50) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL12262036 | 0.70 | ALDH1A1 (0.60) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL5046549 | 0.67 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL4341460 | 0.67 | ERCC5 (0.72) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL759462 | 0.66 | ALDH1A1 (0.84) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL6472322 | 0.65 | CYP2D6 (0.54) | RAB9AMEN1KMT2ALMNASMN1; SMN2 | |
| SCHEMBL711360 | 0.65 | RAB9A (0.75) | ALDH1A1NPC1RAB9AMEN1POLB | |
| SCHEMBL2216212 | 0.65 | ALDH1A1 (1.00) | ALDH1A1NPC1RAB9AMEN1POLB | |
| Hydrochloric Acid SCHEMBL1373347 | 0.65 | ALDH1A1 (0.81) | ALDH1A1NPC1RAB9AMEN1POLB |
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-2519506-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2012-11-07 | — | — | EP | disclosed |
| WO-2011082077-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-07-07 | — | — | WO | disclosed |