Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.49 |
| ▸ | CA2 | P00918 | 2/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 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 | |
|---|---|---|---|---|
| SCHEMBL5636510 | 0.91 | CA1 (0.47) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL7433981 | 0.90 | CA1 (0.46) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL8649697 | 0.81 | SMN1; SMN2 (0.46) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL9211789 | 0.79 | KDM4E (0.41) | CA2CA12MTNR1AHSD17B10 | |
| SCHEMBL1960375 | 0.76 | KDM4E (0.46) | CA1CA2CA12CA9MTNR1A | |
| SCHEMBL761159 | 0.76 | NQO2 (0.57) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL28693243 | 0.76 | CYP2A6 (0.53) | CA1CA2CYP2A6IDO1MTNR1A | |
| SCHEMBL1273504 | 0.76 | CYP2A6 (0.56) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL8645804 | 0.73 | SMN1; SMN2 (0.44) | CA1CA2CYP2A6IDO1CA12 | |
| SCHEMBL91191 | 0.73 | CYP2A6 (0.62) | CA1CA2CYP2A6IDO1MTNR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5116986-A | HETEROAROMATIC AMINE DERIVATIVES | DR. KARL THOMAE GMBH (DE) | 1992-05-26 | — | — | US | disclosed |
| US-4912115-A | Cardiovascular disorders | DR. KARL THOMAE GMBH (DE) | 1990-03-27 | — | — | US | disclosed |
| EP-0269968-A2 | Heteroaromatic amine derivatives, medicaments containing them and process for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-06-08 | — | — | EP | disclosed |