Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 6/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5635740 | 0.83 | ACVR1 (0.38) | HTR2CHTR2AHTR2BKDM4ETNIK | |
| SCHEMBL5636189 | 0.80 | USP30 (0.45) | PIM1HSD17B10KDM4ELMNA | |
| SCHEMBL5637903 | 0.79 | HTR2C (0.55) | HTR2CHTR2AHTR2BHTR6CYP1A2 | |
| SCHEMBL5638470 | 0.78 | HTR2C (0.54) | HTR2CHTR2AHTR2BHTR6HTR7 | |
| SCHEMBL5637652 | 0.78 | HTR2C (0.44) | HTR2CHTR2AHTR2BHTR6 | |
| SCHEMBL5636741 | 0.78 | HTR2C (0.48) | HTR2CHTR2AHTR2BHTR6HTR1A | |
| SCHEMBL5636624 | 0.77 | HTR2C (0.53) | HTR2CHTR2AHTR2BHTR6TNIK | |
| SCHEMBL5636801 | 0.77 | HTR2C (0.36) | HTR2CHTR2AHTR2BHTR6CYP1A2 | |
| SCHEMBL5639194 | 0.77 | HTR2C (0.46) | HTR2CHTR2AHTR2BHTR6HTR1A | |
| SCHEMBL5636602 | 0.76 | HTR2C (0.48) | HTR2CHTR2AHTR2BHTR6ADRB1 |
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 |