Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NQO1 | P15559 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | VKORC1 | Q9BQB6 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13367282 | 0.89 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ATSHRPOLB | |
| SCHEMBL3424497 | 0.82 | TSHR (0.66) | ALDH1A1MEN1KMT2AMAOBTSHR | |
| SCHEMBL17961926 | 0.77 | TSHR (0.55) | ALDH1A1MEN1KMT2AMAOBTSHR | |
| SCHEMBL13367221 | 0.72 | TSHR (0.63) | ALDH1A1MEN1KMT2ATSHRPOLB | |
| SCHEMBL7220431 | 0.72 | TSHR (0.49) | ALDH1A1MEN1KMT2AMAOBTSHR | |
| SCHEMBL11973871 | 0.72 | TSHR (0.48) | ALDH1A1MEN1KMT2AMAOBTSHR | |
| SCHEMBL13442630 | 0.72 | TSHR (0.59) | ALDH1A1KMT2AMAOBTSHRKDM4E | |
| SCHEMBL3424562 | 0.71 | NOTUM (0.60) | ALDH1A1MEN1KMT2ATSHRKDM4E | |
| SCHEMBL4962302 | 0.70 | ALDH1A1 (0.62) | ALDH1A1MEN1KMT2ATSHRPOLB | |
| SCHEMBL4960728 | 0.70 | VKORC1 (0.64) | ALDH1A1MEN1KMT2ATSHRNQO1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7718781-B2 | Hydroxypyridonate and hydroxypyrimidinone chelating agents | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-05-18 | — | — | US | disclosed |