Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1308859 | 0.80 | CTSC (0.44) | SIGMAR1CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6513822 | 0.80 | CTSC (0.44) | SIGMAR1CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1308857 | 0.80 | CTSC (0.44) | SIGMAR1CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8528348 | 0.79 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL9726212 | 0.79 | SIGMAR1 (0.49) | SIGMAR1 | |
| SCHEMBL4314476 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8340029 | 0.79 | SIGMAR1 (0.56) | SIGMAR1CTSCCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9871281 | 0.77 | ALDH1A1 (0.60) | ALDH1A1HTTNCOA1SMN1; SMN2NCOA3 | |
| SCHEMBL7106567 | 0.76 | MME (0.46) | ALDH1A1CTSCCYP1A2 | |
| SCHEMBL1529264 | 0.74 | CTSC (0.46) | CTSCCYP1A2EPHX1 |
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-4351766-A | Production of penicillins | BRISTOL-MYERS COMPANY (US) | 1982-09-28 | — | — | US | disclosed |
| US-4316016-A | TRIMETHYLSILYL DERIVATIVES | BRISTOL-MYERS COMPANY (US) | 1982-02-16 | — | — | US | disclosed |
| US-4310458-A | PRODUCTION OF AMOXYCILLIN AND AMPICILLIN | BRISTOL-MYERS COMPANY (US) | 1982-01-12 | — | — | US | disclosed |
| US-4278600-A | CARBONATION, ACID ACCEPTORS, SILATION | BRISTOL-MYERS COMPANY (US) | 1981-07-14 | — | — | US | disclosed |
| US-4223135-A | CARBONYLATION, ACYLATION | BRISTOL-MYERS COMPANY (US) | 1980-09-16 | — | — | US | disclosed |
| US-4014872-A | ANTIBIOTICS | GLAXO LABORATORIES LIMITED (EN) | 1977-03-29 | — | — | US | disclosed |