Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 6/20 | 0.53 |
| ▸ | NPC1 | O15118 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | HPGD | P15428 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL3197028 | 0.84 | TSHR (0.58) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL8310773 | 0.82 | CES2 (0.72) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6415141 | 0.81 | CES2 (0.55) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL14782239 | 0.81 | CES2 (0.55) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6410973 | 0.76 | TSHR (0.51) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6417954 | 0.76 | CES2 (0.57) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL6412787 | 0.76 | CES2 (0.52) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL1066873 | 0.74 | CES2 (1.00) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL10031582 | 0.74 | CES2 (0.65) | CES2CES1RAB9ANPC1ALDH1A1 | |
| SCHEMBL12863468 | 0.73 | RAB9A (0.46) | CES2CES1RAB9ANPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9770439-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-09-26 | — | — | US | disclosed |