Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13197220 | 1.00 | CYP1A2 (0.56) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL5642066 | 0.92 | CYP1A2 (0.64) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL1645260 | 0.85 | CYP1A2 (0.56) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL5169193 | 0.83 | CYP1A2 (0.55) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL24880489 | 0.81 | CYP1A2 (0.53) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL2473041 | 0.81 | CYP1A2 (0.53) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL12228821 | 0.81 | CYP1A2 (0.53) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL1646668 | 0.80 | CYP1A2 (0.51) | CYP1A2TSHRMAPTALDH1A1LMNA | |
| SCHEMBL11886132 | 0.80 | MAPK1 (0.48) | CYP1A2TSHRMAPTALDH1A1CA12 | |
| SCHEMBL31226268 | 0.80 | MAPK1 (0.48) | CYP1A2TSHRMAPTALDH1A1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3982958-A1 | SUBSTITUTED HETEROAROMATIC PYRAZOLO-PYRIDINES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS | Janssen Pharmaceutica NV (BE) | 2022-04-20 | — | — | EP | disclosed |