Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 1/20 | 0.43 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.43 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 2/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 1/20 | 0.39 |
| ▸ | APP | P05067 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | SPPL2A | Q8TCT8 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092577 | 1.00 | CTSB (0.43) | CTSBTRPM8TACR1CTRB1TYR | |
| SCHEMBL8607076 | 0.89 | CTRB1 (0.48) | CTSBTRPM8TACR1CTRB1TYR | |
| SCHEMBL7303975 | 0.89 | CTRB1 (0.48) | CTSBTRPM8TACR1CTRB1TYR | |
| SCHEMBL7094521 | 0.84 | CYP3A4 (0.51) | CTSBTRPM8TACR1CTRB1TYR | |
| SCHEMBL7091152 | 0.82 | CTSB (0.42) | CTSBTRPM8TACR1CTRB1KLK5 | |
| SCHEMBL4676682 | 0.82 | CYP3A4 (0.56) | CTSBTRPM8CTRB1CTSLCYP3A4 | |
| SCHEMBL9235406 | 0.82 | CYP3A4 (0.56) | CTSBTRPM8CTRB1CTSLCYP3A4 | |
| SCHEMBL7301058 | 0.81 | CTSB (0.48) | CTSBTRPM8TACR1CTRB1KLK5 | |
| SCHEMBL7299994 | 0.80 | TRPM8 (0.46) | CTSBTRPM8TACR1CTRB1KLK5 | |
| SCHEMBL893383 | 0.79 | CYP3A4 (0.55) | TACR1CYP3A4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0727419-B1 | Intermediates for the preparation of retroviral protease inhibiting compounds | ABBOTT LAB (US) | 2002-02-27 | — | — | EP | disclosed |