Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.64 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.58 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.58 |
| ▸ | DHFR | P00374 | 1/20 | 0.58 |
| ▸ | CNR2 | P34972 | 8/20 | 0.55 |
| ▸ | CNR1 | P21554 | 5/20 | 0.55 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | SSTR2 | P30874 | 3/20 | 0.48 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.46 |
| ▸ | SKP1 | P63208 | 1/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL11978706 | 0.85 | HTR3A (0.68) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL8147076 | 0.81 | CHRNB2 (0.73) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL5800979 | 0.80 | HTR3A (0.58) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL2280216 | 0.78 | AKR1C3 (0.73) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL6352883 | 0.78 | HTR3A (1.00) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL4355823 | 0.78 | CHRNB2 (0.89) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL30020071 | 0.78 | CHRNB2 (0.89) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| Hydrochloric Acid SCHEMBL4057198 | 0.77 | CHRNB2 (0.86) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL28537114 | 0.76 | HTR3A (0.68) | HTR3ACHRNB2CHRNA4DHFRCNR2 | |
| SCHEMBL5832247 | 0.75 | HTR3A (0.59) | HTR3ACHRNB2CHRNA4DHFRCNR2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005019200-A2 | ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-03-03 | — | — | WO | disclosed |