Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 15/20 | 0.50 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | HTT | P42858 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8045968 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8051721 | 0.81 | ALDH1A1 (0.47) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8032514 | 0.81 | ALDH1A1 (0.46) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8043646 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HSD17B10SMN1; SMN2MAPTHPGD | |
| SCHEMBL8051157 | 0.79 | ALDH1A1 (0.45) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8050620 | 0.79 | ALDH1A1 (0.55) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8042932 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8043251 | 0.78 | ALDH1A1 (0.49) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8033986 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT | |
| SCHEMBL8048340 | 0.76 | ALDH1A1 (0.45) | ALDH1A1ADRB2HSD17B10SMN1; SMN2MAPT |
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 |