Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.40 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | SRD5A1 | P18405 | 2/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21937667 | 0.98 | IDO1 (0.46) | IDO1PDPK1RETHTR2ACA1 | |
| SCHEMBL9165650 | 0.98 | IDO1 (0.46) | IDO1PDPK1RETHTR2ACA1 | |
| SCHEMBL384149 | 0.98 | IDO1 (0.46) | IDO1PDPK1RETHTR2ACA1 | |
| Trimethylammonium SCHEMBL27680479 | 0.91 | SIGMAR1 (0.45) | IDO1PDPK1CA1CA2PIN1 | |
| SCHEMBL782544 | 0.86 | IDO1 (0.49) | IDO1RETHTR2A | |
| SCHEMBL8699708 | 0.86 | IDO1 (0.49) | IDO1RETHTR2A | |
| SCHEMBL9159890 | 0.86 | IDO1 (0.49) | IDO1RETHTR2A | |
| SCHEMBL29663637 | 0.86 | IDO1 (0.49) | IDO1RETHTR2A | |
| SCHEMBL9722657 | 0.85 | IDO1 (0.43) | IDO1RETHTR2A | |
| SCHEMBL1567129 | 0.78 | HTR1A (0.47) | IDO1PDPK1CYP11B2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110536880-B | Process for producing indanecarbaldehyde | 三菱瓦斯化学株式会社 | 2022-07-05 | — | — | CN | disclosed |