Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28030373 | 0.88 | CYP3A4 (0.56) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL31290664 | 0.82 | CYP3A4 (0.50) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL8973261 | 0.81 | ALDH1A1 (0.58) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL3266396 | 0.81 | CYP3A4 (0.49) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL7113446 | 0.81 | CYP3A4 (0.49) | CYP3A4NPSR1PKMSMN1; SMN2CTBP2 | |
| SCHEMBL8916344 | 0.81 | ALDH1A1 (0.46) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL11128484 | 0.79 | CYP3A4 (0.47) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL6032361 | 0.78 | L3MBTL1 (0.47) | CYP3A4NPSR1SMN1; SMN2KMT2ALMNA | |
| SCHEMBL28521498 | 0.78 | TDP1 (0.54) | CYP3A4NPSR1PKMSMN1; SMN2KMT2A | |
| SCHEMBL513530 | 0.78 | PKM (0.53) | CYP3A4PKMCTBP2KMT2AUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038975-A2 | PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF | MSN LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |
| WO-2012038975-A2 | PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF | MSN LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | disclosed |