Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.34 |
| ▸ | HTR2C | P28335 | 7/20 | 0.33 |
| ▸ | HTR2A | P28223 | 5/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5636459 | 0.82 | HTR2C (0.34) | HTR2CHTR2AMEN1MAPTKMT2A | |
| SCHEMBL5637197 | 0.81 | HTR2C (0.32) | HTR2C | |
| SCHEMBL5638608 | 0.77 | HTR2C (0.50) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL5635522 | 0.77 | HTR2C (0.34) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL5636929 | 0.77 | HTR2C (0.37) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL5636305 | 0.77 | HTR2C (0.48) | HTR2CHTR2AKDM4EMEN1TP53 | |
| SCHEMBL5635418 | 0.73 | PNMT (0.35) | PNMTHTR2CHTR2AKDM4EMEN1 | |
| SCHEMBL5635399 | 0.71 | HTR2C (0.39) | PNMTHTR2CHTR2AKDM4EMEN1 | |
| SCHEMBL11427742 | 0.70 | HTR2C (0.47) | HTR2CHTR2AKDM4EMEN1TP53 | |
| Hydrochloric Acid SCHEMBL5636963 | 0.69 | HTR2C (0.46) | HTR2CHTR2AKDM4EMEN1TP53 |
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-RE39679-E1 | Substituted heterocycle fused gamma-carbolines | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2007-06-05 | — | — | US | disclosed |
| US-6713471-B1 | SUCH AS TERT-BUTYL-1-METHYL-6,7,9,12-TETRAHYDRO-5H-PYRIDO-(4,3-B)(1,4) THIAZEPINO(2,3,4-HI)INDOLE-11(10H)-CARBOXYLATE; SEROTONIN AGONISTS AND ANTAGONISTS; CENTRAL NERVOUS SYSTEM DISORDERS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2004-03-30 | — | — | US | disclosed |