Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | ABAT | P80404 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9550976 | 0.78 | ERBB2 (0.36) | KDM4EALDH1A1OPRK1KMT2A | |
| SCHEMBL929424 | 0.77 | KDM4E (0.43) | KDM4EALDH1A1NOS3NOS1NOS2 | |
| SCHEMBL5630218 | 0.76 | NOS3 (0.33) | NOS3NOS1NOS2 | |
| SCHEMBL1822712 | 0.74 | — | — | |
| SCHEMBL5632552 | 0.71 | NCF1 (0.39) | KDM4ENOS3NOS1NOS2 | |
| SCHEMBL13343549 | 0.70 | NOS3 (0.32) | NOS3NOS1NOS2TSHRCASP1 | |
| SCHEMBL2174346 | 0.69 | — | — | |
| SCHEMBL930107 | 0.68 | S1PR4 (0.35) | KDM4EALDH1A1 | |
| SCHEMBL930346 | 0.65 | ALDH1A1 (0.35) | ALDH1A1 | |
| SCHEMBL19155961 | 0.65 | — | — |
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-0527131-A1 | CHELANTS | NYCOMED SALUTAR, INC. (US) | 1993-02-17 | — | — | EP | disclosed |
| WO-1991010645-A2 | CHELANTS | COCKBAIN, JULIAN, RODERICK, MICHAELSON (GB) | 1991-07-25 | — | — | WO | disclosed |