Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.30 |
| ▸ | HTT | P42858 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8052246 | 0.90 | KMT2A (0.36) | ALDH1A1SMN1; SMN2LMNAKMT2ATP53 | |
| SCHEMBL8032337 | 0.88 | HTT (0.39) | ALDH1A1POLBGAALMNAKMT2A | |
| SCHEMBL8046340 | 0.84 | KMT2A (0.34) | ALDH1A1SMN1; SMN2RCE1NPC1RAB9A | |
| SCHEMBL8042707 | 0.83 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2RCE1POLBGAA | |
| SCHEMBL8047970 | 0.82 | HTT (0.39) | ALDH1A1SMN1; SMN2POLBGAANPC1 | |
| SCHEMBL8033860 | 0.82 | DCUN1D1 (0.36) | — | |
| SCHEMBL8044008 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2LMNAKMT2ACYP2C19 | |
| SCHEMBL8048338 | 0.82 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2GAARAB9ALMNA | |
| SCHEMBL8042645 | 0.81 | — | — | |
| SCHEMBL8032728 | 0.81 | ALDH1A1 (0.37) | ALDH1A1SMN1; SMN2POLBGAANPC1 |
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-6080772-A | 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY | SUGEN, INC. (US) | 2000-06-27 | — | — | US | disclosed |