Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 2/20 | 0.40 |
| ▸ | PPP3CB | P16298 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.38 |
| ▸ | TACR3 | P29371 | 6/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL14282972 | 1.00 | CTSB (0.40) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL4979076 | 0.95 | CTSB (0.41) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL3042218 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL3041949 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL5741505 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL13519865 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL5741504 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL3041937 | 0.93 | CTSB (0.39) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL1941776 | 0.91 | CYP3A4 (0.44) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 | |
| SCHEMBL1942458 | 0.91 | CYP3A4 (0.44) | CTSBPPP3CBCYP3A4KDM4EALDH1A1 |
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-7323447-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-29 | — | — | US | disclosed |