Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.41 |
| ▸ | PDK2 | Q15119 | 8/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316576 | 0.78 | CYP2D6 (0.41) | PDK2TDP1THRBALDH1A1MAPT | |
| SCHEMBL7313758 | 0.77 | THRB (0.43) | PDK2TDP1THRBALDH1A1RAB9A | |
| SCHEMBL7316356 | 0.76 | PDK2 (0.40) | PDK2TDP1THRBALDH1A1MAPT | |
| SCHEMBL7316321 | 0.74 | THRB (0.39) | OPRK1PDK2TDP1THRBMEN1 | |
| SCHEMBL7313945 | 0.72 | PDK2 (0.46) | OPRM1OPRD1OPRK1OPRL1PDK2 | |
| SCHEMBL7316444 | 0.72 | PDK2 (0.47) | PDK2MEN1MAPTKMT2APOLB | |
| SCHEMBL7319520 | 0.72 | PDK2 (0.44) | PDK2 | |
| SCHEMBL27619850 | 0.72 | PDK2 (0.47) | PDK2TDP1THRBMEN1MAPT | |
| SCHEMBL7314142 | 0.71 | PDK2 (0.40) | PDK2TDP1THRBALDH1A1KMT2A | |
| SCHEMBL11133761 | 0.71 | PDK2 (0.36) | OPRM1OPRD1OPRK1OPRL1PDK2 |
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-6162824-A | NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS | ALLELIX NEUROSCIENCE INC. | 2000-12-19 | — | — | US | disclosed |
| WO-1999041227-A1 | TRICYCLIC COMPOUNDS AS GLYCINE TRANSPORT INHIBITORS | ALLELIX NEUROSCIENCE, INC. (US) | 1999-08-19 | — | — | WO | disclosed |