Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.48 |
| ▸ | NOS1 | P29475 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | PLK1 | P53350 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | REN | P00797 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | SMPD1 | P17405 | 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 | |
|---|---|---|---|---|
| SCHEMBL216988 | 0.90 | NOS3 (0.56) | NOS3NOS1KMOHTTTSHR | |
| SCHEMBL8879021 | 0.85 | HTT (0.54) | KMOHTTTSHRPOLBPLK1 | |
| SCHEMBL5799186 | 0.82 | KMO (0.52) | KMOHTTTSHRPOLBPLK1 | |
| SCHEMBL17076653 | 0.82 | ATAD2 (0.52) | KMOHTTTSHRPOLBPLK1 | |
| SCHEMBL8266002 | 0.82 | POLB (0.49) | KMOHTTTSHRPOLBTP53 | |
| SCHEMBL8151721 | 0.81 | CHRM2 (0.48) | NOS3NOS1KMOHTTTSHR | |
| SCHEMBL328352 | 0.80 | KMO (0.50) | KMOHTTTSHRPOLBPLK1 | |
| SCHEMBL55503 | 0.80 | REN (0.61) | KMOHTTTSHRPOLBKMT2A | |
| SCHEMBL8265502 | 0.79 | POLB (0.49) | KMOHTTTSHRPOLBPLK1 | |
| SCHEMBL8264865 | 0.79 | REN (0.57) | KMOHTTTSHRPOLBTP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998047868-A1 | HETEROCYCLE-CONTAINING UREA DERIVATIVES AS 5HT1A, 5HT1B AND 5HT1D RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1998-10-29 | — | — | WO | disclosed |
| US-5756496-A | Amide derivatives having 5HT1D-antagonist activity | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-05-26 | — | — | US | disclosed |
| EP-0763034-A1 | AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995032967-A1 | AMIDE DERIVATIVES HAVING 5HT1D-ANTAGONIST ACTIVITY | SMITHKLINE BEECHAM PLC (GB) | 1995-12-07 | — | — | WO | disclosed |