Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HMGCR | P04035 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.30 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22028162 | 1.00 | KMT2A (0.36) | KMT2AMEN1SMN1; SMN2HMGCRCHRM1 | |
| SCHEMBL10815346 | 0.82 | KMT2A (0.33) | KMT2AMEN1SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL2896474 | 0.82 | L3MBTL1 (0.34) | KMT2AMEN1SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL26923970 | 0.79 | HMGCR (0.34) | KMT2AMEN1SMN1; SMN2HMGCRCHRM1 | |
| Bicarbonate SCHEMBL5505471 | 0.78 | HMGCR (0.42) | KMT2AMEN1SMN1; SMN2HMGCRCHRM1 | |
| SCHEMBL22080248 | 0.78 | TDP1 (0.41) | KMT2AMEN1SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL20501314 | 0.74 | HMGCR (0.39) | HMGCRCHRM1TBXA2RADRA1AALDH1A1 | |
| SCHEMBL16438125 | 0.74 | HMGCR (0.64) | HMGCRCHRM1TBXA2RADRA1AMAPT | |
| SCHEMBL10974694 | 0.74 | HMGCR (0.64) | HMGCRCHRM1TBXA2RADRA1AMAPT | |
| SCHEMBL2172457 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3544968-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098413-A1 | PYRIMIDINE CARBOXAMIDES AS GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-31 | — | — | WO | disclosed |