Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.63 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.44 |
| ▸ | NSD2 | O96028 | 1/20 | 0.44 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.44 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13367222 | 0.90 | NOTUM (0.56) | TSHRNOTUMALDH1A1MAPK1LMNA | |
| SCHEMBL3424497 | 0.89 | TSHR (0.66) | TSHRNOTUMALDH1A1MAPK1TDP1 | |
| SCHEMBL17980868 | 0.84 | TSHR (0.44) | TSHRALDH1A1TDP1L3MBTL1KDM4E | |
| SCHEMBL13367282 | 0.79 | ALDH1A1 (0.48) | TSHRALDH1A1MAPK1CYP3A4KDM4E | |
| SCHEMBL17961926 | 0.79 | TSHR (0.55) | TSHRALDH1A1KDM4ESMN1; SMN2GAA | |
| SCHEMBL8940579 | 0.78 | TSHR (0.80) | TSHRNOTUMALDH1A1MAPK1TDP1 | |
| SCHEMBL14886582 | 0.78 | TSHR (1.00) | TSHRNOTUMALDH1A1MAPK1TDP1 | |
| SCHEMBL13367223 | 0.78 | KMT2A (0.43) | TSHRNOTUMALDH1A1MAPK1LMNA | |
| SCHEMBL5233806 | 0.77 | MAPK8 (0.46) | TSHRKDM4ELMNAGAAKMT2A | |
| SCHEMBL3424562 | 0.76 | NOTUM (0.60) | TSHRNOTUMALDH1A1MAPK1CYP3A4 |
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-7718781-B2 | Hydroxypyridonate and hydroxypyrimidinone chelating agents | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-05-18 | — | — | US | disclosed |
| WO-2007121453-A2 | 2-HYDROXY-1-OXO 1,2 DIHYDRO ISOQUINOLINE CHELATING AGENTS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2007-10-25 | — | — | WO | disclosed |