Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 14/20 | 0.40 |
| ▸ | HTR2B | P41595 | 7/20 | 0.40 |
| ▸ | HTR2A | P28223 | 7/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3136180 | 1.00 | HTR2C (0.40) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL13268789 | 1.00 | HTR2C (0.40) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL3136412 | 0.85 | HTR2C (0.42) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL13270187 | 0.85 | HTR2C (0.42) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL13270124 | 0.85 | HTR2C (0.43) | HTR2CHTR2BHTR2AKMT2AKCNH2 | |
| SCHEMBL3138083 | 0.85 | HTR2C (0.43) | HTR2CHTR2BHTR2AKMT2AKCNH2 | |
| SCHEMBL5415878 | 0.81 | HTR2C (0.55) | HTR2CHTR2BHTR2AKCNH2 | |
| SCHEMBL3140380 | 0.80 | HTR2C (0.57) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL13270210 | 0.80 | HTR2C (0.57) | HTR2CHTR2BHTR2AMAPTKDM4E | |
| SCHEMBL3127409 | 0.80 | PTPN11 (0.39) | HTR2CHTR2BHTR2A |
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-6777406-B2 | SUCH AS PYRIDO(3,2,1-IJ)PYRROLO(3,4-C)QUINOLIN-8-ONE DERI-VATIVES; CENTRAL NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-08-17 | — | — | US | disclosed |