Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 14/20 | 0.76 |
| ▸ | TDO2 | P48775 | 14/20 | 0.76 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29865145 | 1.00 | IDO1 (0.76) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL28463699 | 0.93 | IDO1 (0.64) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL29865146 | 0.93 | IDO1 (0.64) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL28461275 | 0.92 | IDO1 (0.63) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL29865141 | 0.90 | IDO1 (0.61) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL28844859 | 0.90 | IDO1 (0.61) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL28844580 | 0.89 | IDO1 (0.60) | IDO1TDO2ALOX15MMP13EGFR | |
| SCHEMBL28844623 | 0.89 | IDO1 (0.79) | IDO1TDO2ALOX15 | |
| SCHEMBL28844563 | 0.89 | IDO1 (0.60) | IDO1TDO2ALOX15EGFRKDM4E | |
| SCHEMBL29865016 | 0.89 | IDO1 (0.60) | IDO1TDO2ALOX15MMP13EGFR |
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 |
|---|---|---|---|---|---|---|---|
| CN-110483366-B | Indole compound and preparation method, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2022-09-16 | — | — | CN | disclosed |
| CN-107098846-B | N-acyl sulfonamide FBPase inhibitor, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2020-10-09 | — | — | CN | disclosed |