Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 1/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.47 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.45 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.45 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.45 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28650574 | 0.83 | TAAR1 (0.55) | CNR1GPR84TAAR1HPGDPLA2G1B | |
| SCHEMBL4887074 | 0.81 | HTT (0.51) | TAAR1KMT2AMEN1ALDH1A1IDO1 | |
| Hydrochloric Acid SCHEMBL28654800 | 0.81 | HTT (0.54) | CNR1GPR84TAAR1HPGDPLA2G1B | |
| SCHEMBL585624 | 0.79 | IDO1 (0.50) | CNR1GPR84TAAR1HPGDIDO1 | |
| SCHEMBL2469837 | 0.78 | TAAR1 (0.58) | CNR1GPR84TAAR1IDO1PLAAT3 | |
| SCHEMBL28156393 | 0.77 | KMT2A (0.44) | CNR1GPR84TAAR1HPGDPLA2G1B | |
| SCHEMBL11621292 | 0.76 | IDO1 (0.65) | CNR1GPR84IDO1HTTTP53 | |
| SCHEMBL680436 | 0.76 | TAAR1 (0.60) | CNR1GPR84TAAR1HPGDKMT2A | |
| SCHEMBL6894441 | 0.76 | CNR1 (0.51) | CNR1GPR84TAAR1HPGDKMT2A | |
| SCHEMBL97596 | 0.75 | ACLY (0.47) | IDO1MAPK1CYP1A2CYP3A4CYP2C9 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | claimed |
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | disclosed |
| CN-113292493-A | Preparation method of 5, 7-dichloro-1, 2,3, 4-tetrahydroisoquinoline | 上海立科化学科技有限公司 | 2021-08-24 | — | — | CN | disclosed |
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |
| EP-1409468-A2 | GUANIDINOBENZAMIDES AS MC4-R AGONISTS | CHIRON CORPORATION (US) | 2004-04-21 | — | — | EP | disclosed |
| WO-2002018327-A2 | GUANIDINOBENZAMIDES AS MC4-R AGONISTS | CHIRON CORPORATION (US) | 2002-03-07 | — | — | WO | disclosed |
| EP-0542867-A4 | METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS | — | 1993-07-28 | — | — | EP | disclosed |
| EP-0542867-A1 | METHODS OF PREVENTING OR DECREASING TISSUE DAMAGE BY NOVEL ANTIOXIDANTS AND FREE RADICAL SCAVENGERS | GENSIA, INC. (US) | 1993-05-26 | — | — | EP | disclosed |