Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | UTS2R | Q9UKP6 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 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 | |
|---|---|---|---|---|
| SCHEMBL9624982 | 0.88 | MAPT (0.44) | DRD2DRD3KCNH2SMPD1 | |
| SCHEMBL9624347 | 0.88 | DRD2 (0.38) | DRD2DRD3KCNH2CYP2A6 | |
| SCHEMBL9624873 | 0.83 | HDAC6 (0.35) | DRD2DRD3KCNH2HDAC6SMPD1 | |
| SCHEMBL9625026 | 0.82 | ADAM17 (0.35) | DRD2DRD3UTS2RHDAC6SIGMAR1 | |
| SCHEMBL9625527 | 0.82 | L3MBTL1 (0.38) | HDAC6SMPD1 | |
| SCHEMBL9624678 | 0.81 | HDAC6 (0.36) | HDAC6SMPD1 | |
| SCHEMBL9625039 | 0.81 | DRD2 (0.39) | DRD2DRD3KCNH2IDH1CTRC | |
| SCHEMBL9624291 | 0.80 | SMPD1 (0.36) | DRD2DRD3KCNH2HDAC6SMPD1 | |
| SCHEMBL10400953 | 0.79 | MAPT (0.39) | DRD2DRD3KCNH2SMPD1 | |
| SCHEMBL9625682 | 0.78 | PRKCB (0.35) | DRD2DRD3KCNH2HDAC6SMPD1 |
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 |