Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NOS3 | P29474 | 4/20 | 0.45 |
| ▸ | NOS2 | P35228 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 6/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | PRKCA | P17252 | 1/20 | 0.38 |
| ▸ | ABL2 | P42684 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL437141 | 0.77 | SMN1; SMN2 (0.51) | SMN1; SMN2KDM4EEGFRABL1PRKCA | |
| SCHEMBL30448074 | 0.72 | UTS2R (0.54) | ALDH1A1 | |
| SCHEMBL10546827 | 0.72 | UTS2R (0.54) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL30448693 | 0.70 | UTS2R (0.53) | ALDH1A1 | |
| SCHEMBL8296004 | 0.69 | NOS2 (0.45) | NOS3NOS2KDM4EKMT2ANOS1 | |
| SCHEMBL21449726 | 0.69 | NOS2 (0.41) | NOS3NOS2KDM4EGAANOS1 | |
| SCHEMBL856054 | 0.68 | EGFR (0.44) | SMN1; SMN2EGFRABL1PRKCAABL2 | |
| SCHEMBL4028988 | 0.68 | AHR (0.47) | SMN1; SMN2ALDH1A1EGFRABL1PRKCA | |
| SCHEMBL8295987 | 0.65 | PARP1 (0.44) | NOS3NOS2NOS1FYN | |
| SCHEMBL8140613 | 0.65 | FYN (0.53) | NOS3NOS2KDM4EALDH1A1GAA |
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-7157470-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |
| US-7157470-B2 | Sulfonylaminovalerolactams and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-01-02 | — | — | US | disclosed |