Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8553616 | 0.88 | ALDH1A1 (0.47) | ALDH1A1MAPK1HSD17B10KMT2AMEN1 | |
| SCHEMBL8552893 | 0.77 | SMYD3 (0.43) | ALDH1A1TSHR | |
| SCHEMBL8552358 | 0.72 | GLS (0.46) | ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL8554188 | 0.71 | CDK5 (0.43) | — | |
| SCHEMBL8555209 | 0.71 | KDM4E (0.36) | HSD17B10KMT2AMEN1TSHR | |
| SCHEMBL8622807 | 0.70 | CARM1 (0.37) | KMT2AMEN1PKMHPGDMAPT | |
| SCHEMBL8549842 | 0.69 | SMYD3 (0.41) | — | |
| SCHEMBL8141352 | 0.69 | ME3 (0.52) | ALDH1A1MAPK1HSD17B10MAPT | |
| Hydrochloric Acid SCHEMBL8592818 | 0.66 | SMYD3 (0.41) | — | |
| Hydrochloric Acid SCHEMBL8552279 | 0.66 | MEN1 (0.38) | ALDH1A1HSD17B10KMT2AMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5817677-A | ANTITHROMBOSIS AGENTS | DR. KARL THOMAE GMBH (DE) | 1998-10-06 | — | — | US | disclosed |
| EP-0858457-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-08-19 | — | — | EP | disclosed |
| WO-1997015567-A1 | 5-MEMBERED HETEROCYCLES, PHARMACEUTICAL AGENTS CONTAINING SAID COMPOUNDS AND THE USE THEREOF AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-05-01 | — | — | WO | disclosed |