Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27189958 | 1.00 | ALDH1A1 (0.38) | ALDH1A1CA12CA9KMT2AHPGD | |
| SCHEMBL25174808 | 0.77 | ALDH1A1 (0.40) | ALDH1A1CA12CA9HPGDHSD17B10 | |
| SCHEMBL22813353 | 0.73 | ALDH1A1 (0.42) | ALDH1A1CA12CA9HPGDHSD17B10 | |
| SCHEMBL31065934 | 0.72 | ALDH1A1 (0.54) | ALDH1A1CA12CA9KMT2AHPGD | |
| SCHEMBL10672732 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KMT2AHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL29986677 | 0.70 | ALDH1A1 (0.56) | ALDH1A1KMT2AHPGDHSD17B10SMN1; SMN2 | |
| SCHEMBL22743592 | 0.69 | SMN1; SMN2 (0.52) | ALDH1A1KMT2AHPGDGAAKDM4E | |
| SCHEMBL11605406 | 0.69 | CA12 (0.39) | ALDH1A1CA12CA9KMT2AHPGD | |
| SCHEMBL10673485 | 0.69 | HDAC8 (0.61) | ALDH1A1KMT2AHPGDMAPK1SMN1; SMN2 | |
| SCHEMBL7437619 | 0.68 | CA12 (0.63) | ALDH1A1CA12CA9KMT2AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4347563-A1 | 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES | Oxford University Innovation Limited (GB) | 2024-04-10 | — | — | EP | disclosed |
| WO-2022248887-A1 | 2-CARBOXYL-INDOLE INHIBITORS OF METALLO-BETA-LACTAMASES | OXFORD UNIVERSITY INNOVATION LIMITED (GB) | 2022-12-01 | — | — | WO | disclosed |