Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PYCR1 | P32322 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24345065 | 0.82 | PYCR1 (0.53) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16553471 | 0.82 | PYCR1 (0.61) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL14409242 | 0.81 | PYCR1 (0.45) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2655848 | 0.80 | PYCR1 (0.59) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8648703 | 0.80 | PYCR1 (0.59) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15702586 | 0.78 | PYCR1 (0.49) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2655871 | 0.78 | PYCR1 (0.56) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4365623 | 0.77 | PYCR1 (0.56) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL17917704 | 0.76 | PYCR1 (0.55) | PYCR1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12124968 | 0.76 | PYCR1 (0.65) | PYCR1CYP1A2CYP2C19CYP2D6IDO1 |
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-4265608-A1 | BENZOHETEROCYCLE SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND | Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) | 2023-10-25 | — | — | EP | disclosed |