Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | FBP1 | P09467 | 3/20 | 0.41 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30298217 | 0.83 | KDM4E (0.40) | GAADDR1KDM4EMAPK1MAPT | |
| SCHEMBL12713184 | 0.78 | TSHR (0.48) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL15740351 | 0.77 | TSHR (0.47) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL6677336 | 0.74 | ABCB11 (0.61) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL1116734 | 0.74 | CYP1A2 (0.61) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL18512329 | 0.73 | PTGDR2 (0.43) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL12713204 | 0.73 | ALDH1A1 (0.43) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL27334948 | 0.73 | DDR1 (0.40) | CYP1A2CYP3A4PPARAGAADDR1 | |
| SCHEMBL1627032 | 0.72 | TSHR (0.46) | ABCB11CYP1A2CYP3A4TSHRHTR2A | |
| SCHEMBL5096350 | 0.72 | CYP4F2 (0.51) | TSHRGAAALOX15MAOBKDM4E |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |