Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | XBP1 | P17861 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | FYN | P06241 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2050250 | 0.75 | IDO1 (0.57) | IDO1KDM4EPOLBGAAMAPT | |
| SCHEMBL18612923 | 0.73 | IDO1 (0.55) | IDO1KDM4EPOLBGAAMAPT | |
| SCHEMBL1535129 | 0.71 | IDO1 (0.59) | IDO1KDM4EPOLBGAAMAPT | |
| SCHEMBL2589320 | 0.70 | IDO1 (0.47) | IDO1KDM4EPOLBGAAMAPT | |
| SCHEMBL29201170 | 0.67 | MEN1 (0.43) | KDM4EGAAMAPTMAPK1ALDH1A1 | |
| Naphthalene SCHEMBL28157373 | 0.67 | ALDH1A1 (0.77) | IDO1KDM4EPOLBMAPTALDH1A1 | |
| Catechol SCHEMBL25313512 | 0.66 | — | — | |
| Catechol SCHEMBL30416730 | 0.66 | — | — | |
| Catechol SCHEMBL31478306 | 0.66 | — | — | |
| SCHEMBL57158 | 0.66 | IDO1 (1.00) | IDO1GAAMAPTMAPK1ALDH1A1 |
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-117623839-B | Biaryl axis chiral pyrrole compound and synthesis method and application thereof | 华中师范大学 | 2024-08-20 | — | — | CN | disclosed |
| CN-117623839-A | Biaryl axis chiral pyrrole compound and synthesis method and application thereof | 华中师范大学 | 2024-03-01 | — | — | CN | disclosed |