Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMBS | P08397 | 1/20 | 0.42 |
| ▸ | SPR | P35270 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | DAO | P14920 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5010692 | 0.98 | HMBS (0.40) | HMBSSPRPARP1KDM4EGAA | |
| SCHEMBL1738125 | 0.82 | HMBS (0.46) | HMBSSPRKDM4EGAAPKM | |
| Hydrochloric Acid SCHEMBL5709777 | 0.80 | HMBS (0.43) | HMBSSPRKDM4EGAAPKM | |
| SCHEMBL2904372 | 0.78 | GRIA1 (0.43) | HMBSSPRPARP1KDM4EGAA | |
| SCHEMBL22904635 | 0.74 | HMBS (0.37) | HMBSSPRKDM4EGAAPKM | |
| SCHEMBL16344799 | 0.72 | KDM4E (0.41) | PARP1KDM4EGAAPKMMAPK1 | |
| SCHEMBL2690132 | 0.72 | ALDH1A1 (0.38) | PARP1KDM4EGAALOXL2DAO | |
| SCHEMBL17238980 | 0.70 | — | — | |
| SCHEMBL21564300 | 0.70 | DAO (0.37) | HMBSSPRKDM4EGAAMEN1 | |
| SCHEMBL1505819 | 0.70 | MAPK1 (0.36) | HMBSSPRKDM4EPKMMAPK1 |
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-2023154314-A1 | SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |
| WO-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |