Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | GPR3 | P46089 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NCF1 | P14598 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | RAD52 | P43351 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21955159 | 1.00 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 | |
| SCHEMBL21955306 | 0.78 | GPR3 (0.42) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 | |
| SCHEMBL21955334 | 0.78 | KDM4E (0.51) | ALDH1A1HSD17B10HPGDCYP1A2BACE1 | |
| SCHEMBL31039528 | 0.78 | KDM4E (0.51) | ALDH1A1HSD17B10HPGDCYP1A2BACE1 | |
| SCHEMBL31039520 | 0.78 | GPR3 (0.42) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 | |
| SCHEMBL21955287 | 0.77 | HEXA (0.40) | ALDH1A1BACE1DHFRKDM4EGAA | |
| SCHEMBL31039564 | 0.77 | HEXA (0.40) | ALDH1A1BACE1DHFRKDM4EGAA | |
| SCHEMBL22016465 | 0.75 | GPR3 (0.40) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 | |
| SCHEMBL24785503 | 0.75 | ALDH1A1 (0.47) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 | |
| SCHEMBL28162801 | 0.74 | HSD17B10 (0.50) | ALDH1A1HSD17B10HPGDCYP1A2NUDT1 |
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-112996786-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-08-20 | — | — | CN | disclosed |