Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 1/20 | 0.48 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | ADCY1 | Q08828 | 1/20 | 0.40 |
| ▸ | PIKFYVE | Q9Y2I7 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7980265 | 0.87 | SIRT2 (0.52) | NPC1ABCB1MEN1KMT2AALDH1A1 | |
| SCHEMBL7980184 | 0.82 | S1PR1 (0.45) | NTRK1S1PR1NPC1ABCB1EPHX2 | |
| SCHEMBL7744170 | 0.81 | F2 (0.45) | NPC1ABCB1ALDH1A1LMNA | |
| SCHEMBL7744167 | 0.80 | HDAC1 (0.53) | NPC1ABCB1ALDH1A1LMNA | |
| SCHEMBL7744087 | 0.80 | KDR (0.46) | NTRK1NPC1MEN1KMT2AALDH1A1 | |
| SCHEMBL7983601 | 0.79 | KDR (0.53) | NPC1LMNAMAPT | |
| SCHEMBL7744086 | 0.78 | KDR (0.51) | NTRK1NPC1ALDH1A1ADCY1 | |
| SCHEMBL7979621 | 0.78 | KDR (0.50) | NPC1MEN1KMT2AALDH1A1MAPT | |
| SCHEMBL7980821 | 0.77 | KDR (0.54) | NPC1MEN1KMT2AMAPT | |
| SCHEMBL4787849 | 0.76 | ADCY1 (0.49) | NTRK1NPC1ADCY1 |
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-6228871-B1 | THIAZOLE OR OXAZOLE DERIVATIVE TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC AGENTS; AUTOIMMUNE DISEASES; DIABETIC RETINOPATHY | MERCK & CO., INC. | 2001-05-08 | — | — | US | claimed |