Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | ACVR2A | P27037 | 1/20 | 0.41 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.41 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.36 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3078380 | 0.91 | ACVR2A (0.50) | PPARGACVR2ATGFBR2NOX1BRD4 | |
| SCHEMBL7830755 | 0.90 | TSHR (0.41) | ACVR2ATGFBR2NPC1RAB9AALOX5 | |
| SCHEMBL7834007 | 0.88 | NR4A2 (0.44) | ACVR2ATGFBR2ALKBH1NR4A2 | |
| SCHEMBL7833519 | 0.87 | MAPT (0.34) | PPARGACVR2ATGFBR2RAB9A | |
| SCHEMBL7819943 | 0.85 | KMT2A (0.44) | NPC1RAB9ASMN1; SMN2LTA4HALDH1A1 | |
| SCHEMBL3084466 | 0.85 | ACVR2A (0.45) | ACVR2ATGFBR2ALDH1A1HPGD | |
| SCHEMBL7820761 | 0.84 | LTA4H (0.41) | NPC1RAB9ASMN1; SMN2LTA4HALDH1A1 | |
| SCHEMBL3097457 | 0.82 | KMT2A (0.37) | NPC1RAB9ASMN1; SMN2CASP3SENP8 | |
| SCHEMBL3085453 | 0.81 | ACVR2A (0.42) | ACVR2ATGFBR2ALDH1A1MEN1KMT2A | |
| SCHEMBL3087743 | 0.81 | ACVR2A (0.45) | ACVR2ATGFBR2NPC1RAB9AALDH1A1 |
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-1084114-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | Pfizer Products Inc. (US) | 2001-03-21 | — | — | EP | disclosed |
| WO-1999062890-A1 | ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS | PFIZER PRODUCTS INC. (US) | 1999-12-09 | — | — | WO | disclosed |