Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 4/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL29960150 | 0.82 | MAP3K14 (0.63) | MAP3K14HTR1ACTNNB1WNT3AABCB1 | |
| SCHEMBL19829900 | 0.81 | MAP3K14 (0.45) | MAP3K14HTR1ACTNNB1WNT3AABCB1 | |
| SCHEMBL23841360 | 0.78 | MAP3K14 (0.46) | MAP3K14HTR1ACTNNB1WNT3AABCB1 | |
| SCHEMBL3561436 | 0.78 | MAP3K14 (0.67) | MAP3K14HTR2AALDH1A1HTR2C | |
| SCHEMBL29960553 | 0.77 | MAP3K14 (0.42) | MAP3K14HTR1ACTNNB1WNT3AABCB1 | |
| SCHEMBL20480690 | 0.77 | MAP3K14 (0.42) | MAP3K14HTR1ACTNNB1WNT3AABCB1 | |
| Hydrochloric Acid SCHEMBL29960788 | 0.76 | HTR1A (0.54) | MAP3K14HTR1ACTNNB1WNT3AHTR2A | |
| SCHEMBL20480545 | 0.76 | PTGDR2 (0.45) | MAP3K14HTR1ACTNNB1WNT3A | |
| SCHEMBL20480263 | 0.75 | MAP3K14 (0.43) | MAP3K14HTR1ACTNNB1WNT3ACYP19A1 | |
| SCHEMBL3553150 | 0.75 | MAP3K14 (0.45) | MAP3K14ABCB1TP53HTR2C |
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 |