Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ACE | P12821 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.39 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4801033 | 0.92 | CYP3A4 (0.41) | CYP3A4ACEGRIN2BSMN1; SMN2PKM | |
| SCHEMBL4798929 | 0.90 | CYP3A4 (0.53) | CYP3A4GRIN2BSMN1; SMN2PKMHTT | |
| SCHEMBL4800605 | 0.90 | CACNA1B (0.45) | CYP3A4ACEGRIN2BSMN1; SMN2PKM | |
| SCHEMBL4799220 | 0.88 | CYP3A4 (0.44) | CYP3A4ACEGRIN2BSMN1; SMN2PKM | |
| SCHEMBL4798899 | 0.88 | ACE (0.48) | CYP3A4ACESMN1; SMN2MEN1USP2 | |
| SCHEMBL4798199 | 0.87 | ACE (0.46) | CYP3A4ACEGRIN2BSMN1; SMN2PKM | |
| SCHEMBL4796044 | 0.87 | CYP3A4 (0.45) | CYP3A4GRIN2BSMN1; SMN2PKMHTT | |
| SCHEMBL4799891 | 0.87 | CYP3A4 (0.43) | CYP3A4ACEGRIN2BSMN1; SMN2PKM | |
| SCHEMBL4796575 | 0.86 | FKBP1A (0.44) | CYP3A4GRIN2BSMN1; SMN2PKMHTT | |
| SCHEMBL4802608 | 0.85 | HTR2A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1536017-B1 | Process for producing optically active octahydro-1H-indole-2-carboxylic acid | SUMITOMO CHEMICAL CO (JP) | 2007-04-18 | — | — | EP | disclosed |