Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA5 | P31644 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | METAP1 | P53582 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | APAF1 | O14727 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7413954 | 0.86 | CYP1A2 (0.56) | GABRA5MAPK1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL5488765 | 0.79 | GABRA5 (0.43) | GABRA5MAPK1CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL7227570 | 0.72 | CYP1A2 (0.58) | MAPK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5493798 | 0.70 | TNFRSF1A (0.39) | GABRA5MAPTALDH1A1KDM4EMEN1 | |
| SCHEMBL26011619 | 0.69 | ESR1 (0.48) | MAPK1CYP1A2PDGFRBPDGFRAMAPT | |
| SCHEMBL31402836 | 0.69 | CYP1A1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL8452460 | 0.68 | CYP1A2 (0.56) | MAPK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7511134 | 0.67 | CYP1A2 (0.67) | MAPK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8266537 | 0.67 | TNFRSF1A (0.56) | MAPK1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7234430 | 0.67 | CYP1A2 (0.60) | MAPK1CYP1A2CYP3A4CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002088096-A1 | COMPOUNDS INHIBITING CYCLIC NUCLEOTIDE PHOSPHODIESTERASES, PREPARATION AND USES THEREOF | NEURO3D (FR) | 2002-11-07 | — | — | WO | disclosed |