Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7954415 | 0.98 | ALDH1A1 (0.56) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL7945979 | 0.95 | TSHR (0.54) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL16178026 | 0.91 | ALDH1A1 (0.65) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL7945830 | 0.89 | ALDH1A1 (0.56) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL18668916 | 0.86 | TSHR (0.57) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL1987850 | 0.86 | TSHR (0.76) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL29709169 | 0.86 | TSHR (0.76) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL7954467 | 0.85 | PTGS2 (0.68) | TSHRMAPK1TP53CYP3A4ALDH1A1 | |
| SCHEMBL7625712 | 0.85 | SMN1; SMN2 (0.48) | ALDH1A1LMNAL3MBTL1KMT2ASMN1; SMN2 | |
| SCHEMBL17502710 | 0.85 | ALDH1A1 (0.77) | TSHRMAPK1TP53CYP3A4ALDH1A1 |
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-6245779-B1 | ANALGESICS; ANTIINFLAMMATORY AGENTS | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2001-06-12 | — | — | US | disclosed |
| EP-0997463-A1 | NAPHTHYRIDINE DERIVATIVES | OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) | 2000-05-03 | — | — | EP | disclosed |