Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | STAT3 | P40763 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22252057 | 0.87 | TACR1 (0.33) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL20932914 | 0.84 | CYP2A6 (0.43) | PDE3BPDE3AACHEESR1ESR2 | |
| SCHEMBL20178542 | 0.82 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL25786867 | 0.77 | MCL1 (0.40) | ACHECYP1A2CYP3A4TSHRMAPK1 | |
| SCHEMBL17639914 | 0.76 | CYP1A2 (0.37) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL17639917 | 0.76 | ADRB2 (0.40) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL22861975 | 0.74 | S1PR1 (0.39) | PDE3BPDE3AALDH1A1CYP2A6 | |
| SCHEMBL23370929 | 0.74 | CACNA1H (0.37) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL24246909 | 0.72 | CYP2A6 (0.34) | CYP1A2CYP3A4TSHRMAPK1ADRB2 | |
| SCHEMBL5177002 | 0.71 | LMNA (0.52) | ACHECYP1A2CYP3A4TSHRMAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9790210-B2 | N-(monocyclic aryl),N'-pyrazolyl-urea, thiourea, guanidine and cyanoguanidine compounds as TrkA kinase inhibitors | ARRAY BIOPHARMA INC. (US) | 2017-10-17 | — | — | US | disclosed |