Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.46 |
| ▸ | CTSV | O60911 | 2/20 | 0.45 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL732933 | 0.88 | TP53 (0.55) | TP53HTTALDH1A1MAPTKMT2A | |
| SCHEMBL18113435 | 0.88 | HTT (0.57) | TP53HTTALDH1A1MAPTKMT2A | |
| SCHEMBL5047690 | 0.86 | ALDH1A1 (0.50) | TP53HTTALDH1A1MAPTKMT2A | |
| SCHEMBL7970263 | 0.85 | S1PR3 (0.61) | TP53HTTALDH1A1MAPTS1PR3 | |
| SCHEMBL28745869 | 0.84 | S1PR3 (0.63) | TP53HTTALDH1A1S1PR3 | |
| SCHEMBL13215174 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPTKMT2ALMNANPSR1 | |
| SCHEMBL9638940 | 0.81 | ALDH1A1 (0.56) | ALDH1A1MAPTKMT2ALMNANPSR1 | |
| Ether SCHEMBL28274516 | 0.80 | TP53 (0.58) | TP53HTTALDH1A1MAPTKMT2A | |
| SCHEMBL17538478 | 0.80 | MAPT (0.70) | ALDH1A1MAPTKMT2ALMNANPSR1 | |
| SCHEMBL11428399 | 0.80 | TDP1 (0.59) | TP53HTTALDH1A1MAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7319099-B2 | Such as 1-{3-fluoro-4-[4-(2-isopropoxy-5-methanesulfonyl benzoyl)-piperazin-1-yl]-phenyl}-ethanone for treatment of psychoses, pain, neurodegenerative disfunction in memory and learning, schizophrenia, dementia, attention deficit disorders, or Alzheimer's disease | HOFFMANN-LA ROCHE INC. (US) | 2008-01-15 | — | — | US | disclosed |