Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1830984 | 0.80 | CALM1 (0.42) | — | |
| SCHEMBL6165629 | 0.79 | CYP17A1 (0.37) | HRH4HRH3CYP1A2CYP2D6CYP11B1 | |
| SCHEMBL727185 | 0.73 | CYP1A2 (0.62) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL6167802 | 0.70 | HRH4 (0.42) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL6168635 | 0.70 | HRH4 (0.46) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL2749985 | 0.68 | CYP1A2 (0.71) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL20693080 | 0.68 | CHRNB2 (0.44) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL7969373 | 0.68 | CYP1A2 (0.44) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL19591018 | 0.68 | CYP2A6 (0.49) | HRH4HRH3CYP1A2CYP2D6CHRNA7 | |
| SCHEMBL28043557 | 0.68 | CHRNA7 (0.46) | HRH4HRH3CYP1A2CYP2D6CHRNA7 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1372692-A4 | ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR | SLOAN KETTERING INST CANCER (US) | 2005-10-26 | — | — | EP | disclosed |
| EP-1372692-A2 | ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR | Sloan Kettering Institute For Cancer Research (US) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002074050-A2 | ASYMMETRIC SYNTHESIS OF (S, S, R)-(-)-ACTINONIN AND ITS ANALOGS AND USES THEREFOR | SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 2002-09-26 | — | — | WO | disclosed |