Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7679337 | 0.94 | CREBBP (0.42) | CREBBPKDM4EHTTTSHRMET | |
| SCHEMBL7681468 | 0.94 | CREBBP (0.42) | CREBBPKDM4EHTTTSHRMET | |
| SCHEMBL7684227 | 0.86 | TDP1 (0.39) | ALDH1A1PKM | |
| SCHEMBL7681450 | 0.81 | TAAR1 (0.40) | ALDH1A1PKM | |
| SCHEMBL7681583 | 0.81 | TAAR1 (0.40) | ALDH1A1PKM | |
| SCHEMBL8597121 | 0.78 | NPC1 (0.43) | KDM4EKMT2ALMNAPKM | |
| SCHEMBL8598453 | 0.73 | NPC1 (0.42) | KDM4EKMT2AALDH1A1LMNAPKM | |
| SCHEMBL8595853 | 0.73 | NPC1 (0.42) | KDM4EKMT2ALMNAPKM | |
| SCHEMBL6164922 | 0.72 | HTR2A (0.45) | — | |
| SCHEMBL8670994 | 0.71 | TDP1 (0.42) | KDM4ETSHRCYP1A2HSD17B10ALDH1A1 |
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 | disclosed |
| 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 | disclosed |