Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 3/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11595896 | 0.94 | IDO1 (0.41) | SRD5A1SIGMAR1IDO1PDPK1 | |
| SCHEMBL11671198 | 0.82 | SRD5A1 (0.55) | SRD5A1SIGMAR1IDO1PDPK1CYP11B2 | |
| Magnesium SCHEMBL31510119 | 0.80 | SRD5A1 (0.53) | SRD5A1SIGMAR1IDO1PDPK1CYP11B2 | |
| SCHEMBL6784204 | 0.75 | IDO1 (0.53) | SRD5A1SIGMAR1IDO1PDPK1 | |
| SCHEMBL8765982 | 0.74 | PDGFRA (0.45) | SIGMAR1CYP11B2 | |
| SCHEMBL5688182 | 0.73 | HTR2A (0.32) | — | |
| Bicarbonate SCHEMBL30401855 | 0.73 | SRD5A1 (0.51) | SRD5A1SIGMAR1IDO1PDPK1CYP11B2 | |
| SCHEMBL19459166 | 0.72 | ANPEP (0.35) | — | |
| SCHEMBL318422 | 0.72 | PGR (0.36) | — | |
| SCHEMBL121704 | 0.70 | PDPK1 (0.43) | SRD5A1SIGMAR1IDO1PDPK1CYP11B2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4444687-A | BETA-LACTAMASE INHIBITORS | BRISTOL-MYERS COMPANY (US) | 1984-04-24 | — | — | US | disclosed |
| US-4380512-A | INHIBITORS OF 3-LACTAMASES | BRISTOL-MYERS COMPANY (US) | 1983-04-19 | — | — | US | disclosed |
| US-4340539-A | ENZYME INHIBITORS OF B-LACTAMASES | BRISTOL-MYERS COMPANY (US) | 1982-07-20 | — | — | US | disclosed |
| US-4231928-A | 6-(7-HYDROXY-4-OXO-4H-PYRIMIDO(1,2-B)PYRIDAZIN-3-YL-CARBOXAMIDO) SUBSTITUTED PENICILLINS | BRISTOL-MYERS COMPANY (US) | 1980-11-04 | — | — | US | disclosed |
| US-4206116-A | ANTIBIOTICS, BACTERICIDES, PSEUDOMONAS | BRISTOL-MYERS COMPANY (US) | 1980-06-03 | — | — | US | disclosed |
| US-4081441-A | PENICILLANIC ACIDS | BRISTOL-MYERS COMPANY (US) | 1978-03-28 | — | — | US | disclosed |