Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5852576 | 0.89 | MAOB (0.52) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL8366101 | 0.89 | MAOB (0.52) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL7142638 | 0.82 | GAA (0.42) | ALDH1A1CYP3A4TDP1TSHR | |
| SCHEMBL8669516 | 0.77 | CYP2A6 (0.46) | ALDH1A1KMT2AMAPTRAB9A | |
| SCHEMBL3222357 | 0.76 | APP (0.50) | ALDH1A1CYP3A4TDP1GFERTSHR | |
| SCHEMBL8668773 | 0.75 | ABAT (0.50) | ALDH1A1CYP3A4TDP1APPMAOB | |
| SCHEMBL8670278 | 0.75 | PRSS1 (0.43) | TSHRCYP11B1CYP11B2 | |
| SCHEMBL9588199 | 0.75 | HSD17B10 (0.50) | ALDH1A1MAOBMAPTNPC1RAB9A | |
| SCHEMBL8364378 | 0.75 | TRPA1 (0.45) | LOXL2MAOBMAOAKMT2ANPC1 | |
| SCHEMBL5056468 | 0.75 | CYP2A6 (0.50) | TDP1MAOBMAOAMAPTNPC1 |
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-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |