Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | NPC1 | O15118 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | GLA | P06280 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | XDH | P47989 | 1/20 | 0.55 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.53 |
| ▸ | MMP13 | P45452 | 6/20 | 0.52 |
| ▸ | MMP2 | P08253 | 5/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31287683 | 0.90 | KDM4E (0.66) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL6300554 | 0.85 | XDH (0.74) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL926927 | 0.85 | KDM4E (0.68) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL30719997 | 0.85 | KDM4E (0.68) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL4090101 | 0.85 | KDM4E (0.52) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL8869992 | 0.84 | KMT2A (0.71) | KDM4EALDH1A1HPGDLMNAHSD17B10 | |
| SCHEMBL8869370 | 0.82 | KDM4E (0.48) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL31287713 | 0.82 | KDM4E (0.70) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL31287767 | 0.82 | KDM4E (0.70) | KDM4EALDH1A1HPGDRAB9ANPC1 | |
| SCHEMBL8870168 | 0.81 | KDM4E (0.75) | KDM4EALDH1A1HPGDRAB9ANPC1 |
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 |