Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 5/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | GLS | O94925 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8044538 | 0.90 | ALDH1A1 (0.53) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8044422 | 0.87 | RAB9A (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8051385 | 0.87 | GLS (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8044862 | 0.86 | GLS (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8052179 | 0.85 | RAB9A (0.48) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8051149 | 0.84 | GLS (0.47) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8045973 | 0.83 | RAB9A (0.59) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL8049839 | 0.82 | KMT2A (0.52) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8033853 | 0.82 | NPC1 (0.44) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL8048704 | 0.81 | NPSR1 (0.45) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 |
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 |