Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD1 | P21728 | 2/20 | 0.34 |
| ▸ | DRD4 | P21917 | 2/20 | 0.34 |
| ▸ | DRD5 | P21918 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | RECQL | P46063 | 2/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL28151098 | 0.78 | GLA (0.33) | MAPTGAA | |
| SCHEMBL28327769 | 0.75 | CYP3A4 (0.32) | MAPT | |
| SCHEMBL27518193 | 0.72 | RPS6KA3 (0.31) | KDM4EMAPK1MAPTTDP1ALDH1A1 | |
| SCHEMBL27328290 | 0.71 | ALOX5 (0.43) | MAPTTDP1ALDH1A1LMNABLM | |
| SCHEMBL27468059 | 0.70 | — | — | |
| SCHEMBL6996227 | 0.70 | PARP1 (0.61) | TAAR1PARP1 | |
| SCHEMBL9437898 | 0.69 | PARP1 (0.68) | TAAR1MAPTDRD2DRD4SLC6A2 | |
| SCHEMBL11800759 | 0.67 | TAAR1 (0.50) | TAAR1KDM4EMAPK1ADRA2AMAPT | |
| SCHEMBL28195323 | 0.66 | BRD4 (0.40) | KDM4EALDH1A1CA12CA1CA2 | |
| SCHEMBL24211257 | 0.63 | CDK1 (0.47) | TAAR1KDM4EMAPK1ADRA2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |