Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | P4HB | P07237 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | EGLN2 | Q96KS0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8743683 | 0.83 | CA12 (0.42) | CA12CA2CA9CA1CA6 | |
| SCHEMBL10177338 | 0.81 | ALDH1A1 (0.49) | PARP1ALDH1A1LMNACYP3A4RAB9A | |
| SCHEMBL24457392 | 0.79 | MAPT (0.47) | PARP1ALDH1A1LMNARAB9AMAPK1 | |
| SCHEMBL19450175 | 0.79 | MAPT (0.51) | PARP1ALDH1A1LMNARAB9AMAPK1 | |
| SCHEMBL2057249 | 0.79 | CA12 (0.52) | CA12CA2CA9CA1CA6 | |
| SCHEMBL21457230 | 0.77 | P4HB (0.43) | CA12CA2CA9CA1CA6 | |
| SCHEMBL1342671 | 0.77 | ALDH1A1 (0.53) | ALDH1A1LMNARAB9AMAPK1KDM4E | |
| SCHEMBL10177473 | 0.77 | ALDH1A1 (0.53) | ALDH1A1LMNARAB9AMAPK1KDM4E | |
| SCHEMBL1342675 | 0.77 | ALDH1A1 (0.53) | ALDH1A1LMNARAB9AMAPK1KDM4E | |
| SCHEMBL10177409 | 0.76 | CES2 (0.47) | ALDH1A1CYP3A4HSD17B10RAB9AMAPK1 |
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-115916749-A | Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators | 弗特克斯药品有限公司 | 2023-04-04 | — | — | CN | disclosed |