Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | SCN7A | Q01118 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 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 | |
|---|---|---|---|---|
| SCHEMBL8870430 | 0.83 | RAB9A (0.54) | CTNNB1WNT3AKDRPRKCQNPC1 | |
| SCHEMBL13548670 | 0.78 | ALDH1A1 (0.45) | KDRPRKCQNPC1KDM4ELTA4H | |
| SCHEMBL2509875 | 0.78 | AHR (0.45) | KDRPRKCQLTA4HAHR | |
| SCHEMBL962086 | 0.78 | L3MBTL1 (0.46) | KDRPRKCQNPC1LTA4HPTGS2 | |
| SCHEMBL443361 | 0.77 | NPC1 (0.55) | PRKCQNPC1LTA4HTRPA1CA1 | |
| SCHEMBL2778800 | 0.77 | KDR (0.50) | KDRPRKCQLTA4HAHR | |
| SCHEMBL2434619 | 0.77 | KDR (0.45) | KDRPRKCQLTA4HAHR | |
| SCHEMBL13548673 | 0.77 | CYP3A4 (0.47) | PDE10AKDRPRKCQNPC1LTA4H | |
| SCHEMBL18756060 | 0.77 | KDR (0.42) | KDRPRKCQLTA4HAHR | |
| SCHEMBL18392981 | 0.77 | MAPT (0.52) | PDE10ACTNNB1WNT3ANPC1TLR4 |
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-5637593-A | MIGRAINE; HYPOTENSIVE AGENTS | SMITHKLINE BEECHAM PLC (GB) | 1997-06-10 | — | — | US | disclosed |
| EP-0674619-A1 | TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-10-04 | — | — | EP | disclosed |
| WO-1994014770-A1 | TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-07-07 | — | — | WO | disclosed |