Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3490518 | 0.72 | MAOA (0.46) | MAOAMAOBGAANPSR1SIRT1 | |
| SCHEMBL1399933 | 0.71 | MAOA (0.45) | MAOAMAOBGAANPSR1SIRT1 | |
| SCHEMBL45778 | 0.68 | MAOA (0.46) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL441278 | 0.67 | MAOA (0.39) | MAOAMAOBGAANPSR1PLAU | |
| SCHEMBL29350035 | 0.67 | MAOA (0.39) | MAOAMAOBGAANPSR1PLAU | |
| SCHEMBL15375194 | 0.66 | MAOA (0.39) | MAOAMAOBGAANPSR1PLAU | |
| SCHEMBL691140 | 0.65 | MAOA (0.41) | MAOAMAOBPLAUCYP1A2TSHR | |
| SCHEMBL6269033 | 0.65 | TRPA1 (0.46) | MAOAMAOBSIRT1CYP1A2LMNA | |
| SCHEMBL7869058 | 0.64 | MAOA (0.73) | MAOAMAOBGAANPSR1CYP1A2 | |
| SCHEMBL10462577 | 0.64 | MAOA (0.73) | MAOAMAOBGAANPSR1CYP1A2 |
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-6462037-B1 | SUCH AS 7-CHLORO-3-METHYL-5-(2-CYCLOPROPYLETHYNYL)-1,5-DIHYDRO-5-(TRIFLUOROMETHYL) -1,4-BENZODIAZEPIN-2-ONE; PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB PHARMA COMPANY | 2002-10-08 | — | — | US | disclosed |