Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | HTR2C | P28335 | 8/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | HTR2B | P41595 | 2/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | IDE | P14735 | 1/20 | 0.33 |
| ▸ | UBE2N | P61088 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7681450 | 0.98 | TAAR1 (0.40) | TAAR1TDP1HTR2CHTR2AALDH1A1 | |
| SCHEMBL7684227 | 0.94 | TDP1 (0.39) | TAAR1TDP1HTR2CHTR2AALDH1A1 | |
| SCHEMBL7679337 | 0.87 | CREBBP (0.42) | TAAR1PKM | |
| SCHEMBL7681468 | 0.85 | CREBBP (0.42) | TAAR1PKM | |
| SCHEMBL7681402 | 0.81 | CREBBP (0.44) | ALDH1A1PKM | |
| SCHEMBL8598453 | 0.80 | NPC1 (0.42) | TAAR1TDP1HTR2CHTR2AALDH1A1 | |
| SCHEMBL8595853 | 0.78 | NPC1 (0.42) | TAAR1TDP1HTR2CHTR2AATM | |
| SCHEMBL6164922 | 0.76 | HTR2A (0.45) | TAAR1TDP1HTR2CHTR2AHTR2B | |
| SCHEMBL8597121 | 0.74 | NPC1 (0.43) | TAAR1TDP1HTR2CHTR2AATM | |
| SCHEMBL8597148 | 0.73 | NPC1 (0.36) | TAAR1TDP1HTR2CHTR2AATM |
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 |
|---|---|---|---|---|---|---|---|
| US-6413966-B1 | SEROTONERGIC AND CENTRAL DOPAMINERGIC ACTIVITY; AFFINITY FOR 5HT1A AND 5HT2 SEROTONIN AND D2 DOPAMINE RECEPTORS; ATYPICAL ANTIPSYCHOTICS; SCHIZOPHRENIA | FAES, FABRICA ESPANOLA DE PRODUCTOS QUIMICOS Y FARMACEUTICOS, S.A. | 2002-07-02 | — | — | US | claimed |
| EP-1057820-A1 | Arylpiperazinylalkyl-3(2H)-pyridazinones as serotonin 5HT and dopamine D2 receptor agonists | FAES, Fabrica Espanola de Productos Quimicos y Farmaceuticos, S.A. (ES) | 2000-12-06 | — | — | EP | claimed |