Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.43 |
| ▸ | RELA | Q04206 | 3/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 3/20 | 0.42 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9655749 | 1.00 | RAB9A (0.46) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9654312 | 0.90 | MAOB (0.41) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9654296 | 0.90 | MAOB (0.41) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL9656720 | 0.87 | CYP1B1 (0.50) | ALDH1A1SMN1; SMN2HPGDKDM4EMAPT | |
| SCHEMBL9656710 | 0.87 | CYP1B1 (0.50) | ALDH1A1SMN1; SMN2HPGDKDM4EMAPT | |
| SCHEMBL7319467 | 0.84 | NR4A2 (0.38) | NPC1SMN1; SMN2KDM4EMAPTKMT2A | |
| SCHEMBL7325023 | 0.84 | NR4A2 (0.38) | NPC1SMN1; SMN2KDM4EMAPTKMT2A | |
| SCHEMBL9656194 | 0.83 | CYP1B1 (0.44) | ALDH1A1HPGDKDM4EMAPTCYP3A4 | |
| SCHEMBL9656211 | 0.83 | CYP1B1 (0.44) | ALDH1A1HPGDKDM4EMAPTCYP3A4 | |
| SCHEMBL9655717 | 0.81 | ABCG2 (0.43) | RAB9ANPC1ALDH1A1SMN1; SMN2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5084474-A | Antagonist of 5-hydroxytryptamine receptors on nerves and useful for treatment of psychotic disorders, anxiety, and nausea and vomiting, compounds of imidazole | GLAXO GROUP LIMITED (GB) | 1992-01-28 | — | — | US | disclosed |
| US-5019586-A | 5-Hydroxytryptamine Receptor Antagonists | GLAXO GROUP LIMITED | 1991-05-28 | — | — | US | disclosed |
| US-4918080-A | ANXIOLYTIC AGENTS, ANTIEMETICS | GLAXO GROUP LIMITED (GB) | 1990-04-17 | — | — | US | disclosed |
| EP-0291172-A1 | Ketone derivatives | GLAXO GROUP LIMITED (GB) | 1988-11-17 | — | — | EP | disclosed |