Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | RARA | P10276 | 1/20 | 0.39 |
| ▸ | RARG | P13631 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10379977 | 0.95 | MAOB (0.46) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL7772878 | 0.93 | RARB (0.46) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL30466107 | 0.91 | RARB (0.47) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL8857916 | 0.91 | RARB (0.47) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL7178993 | 0.91 | RARB (0.37) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL530150 | 0.91 | PNMT (0.45) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL6341561 | 0.89 | PNMT (0.44) | NPC1RAB9ATP53PKMSMN1; SMN2 | |
| SCHEMBL3163826 | 0.84 | HRH3 (0.42) | MCL1KCNH2RARBNPC1RAB9A | |
| SCHEMBL9738107 | 0.84 | NPC1 (0.45) | MCL1RARBNPC1RAB9ARARA | |
| SCHEMBL8990714 | 0.83 | RARB (0.54) | KCNH2RARBRARARARGHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |