Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL317137 | 0.82 | TAAR1 (0.59) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL9799324 | 0.81 | TAAR1 (0.53) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8104697 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4847564 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL4841431 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8091833 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL3609572 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL3465372 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8105148 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 | |
| SCHEMBL8100975 | 0.81 | TAAR1 (0.57) | TAAR1NPC1TSHRALDH1A1SMN1; SMN2 |
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 2 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 |