Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | UPP1 | Q16831 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.31 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31399295 | 0.80 | TSHR (0.39) | UPP1ARPGRTRPV4MCL1 | |
| SCHEMBL152358 | 0.80 | TSHR (0.39) | UPP1ARPGRTRPV4MCL1 | |
| SCHEMBL7299363 | 0.77 | UPP1 (0.34) | UPP1ARPGRTRPV4MCL1 | |
| Acetonitrile SCHEMBL9498906 | 0.72 | ALDH1A1 (0.40) | UPP1ARPGRTRPV4TSHR | |
| SCHEMBL20690651 | 0.72 | AR (0.42) | UPP1ARPGRTRPV4TSHR | |
| SCHEMBL3032519 | 0.72 | CA1 (0.46) | MCL1TSHRKDM4EALDH1A1GAA | |
| Hexamethylbenzene SCHEMBL4271177 | 0.70 | TSHR (0.44) | ARPGRTSHRKDM4EMEN1 | |
| SCHEMBL12310191 | 0.70 | AR (0.41) | UPP1ARPGRTRPV4TSHR | |
| SCHEMBL3026903 | 0.70 | CA1 (0.41) | MCL1TSHRKDM4EMEN1ALDH1A1 | |
| SCHEMBL645262 | 0.69 | TSHR (0.48) | MCL1TSHRKDM4EMEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |