Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | CETP | P11597 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CASP4 | P49662 | 1/20 | 0.36 |
| ▸ | CASP5 | P51878 | 1/20 | 0.36 |
| ▸ | BPTF | Q12830 | 1/20 | 0.35 |
| ▸ | IKBKB | O14920 | 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 | |
|---|---|---|---|---|
| SCHEMBL7363690 | 0.78 | AOC3 (0.54) | HTR2CHRH4HTR2AAOC3 | |
| SCHEMBL5658514 | 0.72 | CHRNB2 (0.56) | — | |
| SCHEMBL1581409 | 0.71 | BPTF (0.50) | HTR2CHRH4KDM4EALDH1A1CYP1A2 | |
| SCHEMBL27471129 | 0.71 | CHRNB2 (0.54) | — | |
| SCHEMBL27455974 | 0.71 | CHRNB2 (0.54) | — | |
| SCHEMBL17110827 | 0.70 | TGFBR1 (0.55) | CETP | |
| SCHEMBL5717512 | 0.70 | S1PR1 (0.56) | HTR2CHRH4KDM4EALDH1A1CYP3A4 | |
| SCHEMBL18790715 | 0.69 | CHRNB2 (0.53) | HTR2CHRH4KDM4EMEN1ALDH1A1 | |
| SCHEMBL14982162 | 0.69 | ADRB1 (0.51) | HTR2CHTR1AHTR2A | |
| SCHEMBL177143 | 0.69 | S1PR1 (0.58) | HTR2CKDM4EALDH1A1CYP3A4HTR2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2121630-B1 | FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2012-08-01 | — | — | EP | disclosed |
| EP-2121630-A1 | FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | Janssen Pharmaceutica, N.V. (BE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008098892-A1 | FAST DISSOCIATING DOPAMINE 2 RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-21 | — | — | WO | disclosed |