Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | CA7 | P43166 | 2/20 | 0.57 |
| ▸ | CTSL | P07711 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 9/20 | 0.50 |
| ▸ | MMP9 | P14780 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | LMTK3 | Q96Q04 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ADAMTS5 | Q9UNA0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7246633 | 0.81 | PIN1 (0.57) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL7246631 | 0.81 | PIN1 (0.57) | PIN1CA2CA7CTSLCTSS | |
| Bromide SCHEMBL7245264 | 0.77 | PIN1 (0.56) | PIN1CA2CA7CTSLCTSS | |
| Bromide SCHEMBL7245256 | 0.77 | PIN1 (0.56) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL18328366 | 0.75 | CA2 (0.56) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL6266326 | 0.75 | PIN1 (1.00) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL9765289 | 0.74 | NR3C1 (0.62) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL21808621 | 0.74 | CA2 (0.73) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL18328186 | 0.74 | CA2 (0.73) | PIN1CA2CA7CTSLCTSS | |
| SCHEMBL1287449 | 0.74 | MMP2 (0.62) | PIN1CA2CA7CTSLCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-5830897-A | AIDS THERAPY | G. D. SEARLE & CO. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5786483-A | α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors | G. D. SEARLE & CO. (US) | 1998-07-28 | — | — | US | disclosed |