Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.50 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL322857 | 0.97 | — | — | |
| SCHEMBL4896383 | 0.77 | GABRA1 (0.42) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL4965401 | 0.77 | TAAR1 (0.60) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL31192635 | 0.77 | GABRA1 (0.42) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL29350459 | 0.76 | TSHR (0.50) | TAAR1IDO1TSHRCYP1A2LMNA | |
| SCHEMBL150237 | 0.76 | TSHR (0.50) | TAAR1IDO1TSHRCYP1A2LMNA | |
| SCHEMBL20818578 | 0.75 | TSHR (0.39) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL29900365 | 0.75 | TSHR (0.39) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL9313596 | 0.75 | PARP1 (0.41) | TAAR1IDO1TSHRCYP1A2CYP2D6 | |
| SCHEMBL8703610 | 0.75 | TAAR1 (0.64) | TAAR1IDO1TSHRCYP1A2CYP2D6 |
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-1934097-A | Acetylinic piperazine compounds and their use as metabotropic glutamate receptor antagonists | ASTRAZENECA AB (SE) | 2007-03-21 | — | — | CN | disclosed |