Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.50 |
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | CTSS | P25774 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | TACR1 | P25103 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9815930 | 0.86 | ATM (0.51) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL8442391 | 0.86 | ATM (0.51) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL10979333 | 0.84 | CTRB1 (0.54) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL7418225 | 0.84 | ATM (0.52) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL4665558 | 0.82 | CTRB1 (0.55) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL7134978 | 0.82 | CTRB1 (0.55) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL4998172 | 0.82 | CTRB1 (0.55) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL14099876 | 0.82 | HSD17B10 (0.53) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL5099842 | 0.82 | HSD17B10 (0.53) | ALDH1A1CYP1A2CTRB1CTSLCTSS | |
| SCHEMBL14099873 | 0.82 | HSD17B10 (0.53) | ALDH1A1CYP1A2CTRB1CTSLCTSS |
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-0677048-A1 | CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. | SEARLE & CO (US) | 1995-10-18 | — | — | EP | disclosed |
| WO-1994014793-A1 | CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS | G. D. SEARLE & CO. (US) | 1994-07-07 | — | — | WO | disclosed |