Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.53 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6661153 | 1.00 | TSHR (0.60) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL16979582 | 0.86 | ALDH1A1 (0.60) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL16971093 | 0.86 | ALDH1A1 (0.60) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL7319345 | 0.83 | ALDH1A1 (0.57) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL14416438 | 0.82 | ALDH1A1 (0.52) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL563406 | 0.81 | TP53 (0.52) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL21457629 | 0.81 | ALDH1A1 (0.51) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL10539195 | 0.81 | ALDH1A1 (0.58) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL27575567 | 0.79 | TSHR (0.64) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL14188168 | 0.79 | PARP1 (0.56) | KMT2AMEN1POLBRAB9ANPC1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004011414-A1 | E-ISOMERIC β-AROMATIC OR HETEROAROMATIC SUBSTITUTED β-ACYLAMINO-ACRYLATES AND METHODS OF PREPARING THE SAME | DSM IP ASSETS B.V. (NL) | 2004-02-05 | — | — | WO | disclosed |
| US-4990507-A | Cardiotonic agents | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-02-05 | — | — | US | disclosed |
| EP-0228845-B1 | N-CONTAINING HETEROCYCLIC COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND COMPOSITION COMPRISING THE SAME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1990-12-12 | — | — | EP | disclosed |
| US-4931453-A | CARDIOVASCULAR, HYPOTENSIVE AGENTS | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1990-06-05 | — | — | US | disclosed |
| US-4857527-A | HYPOTENSIVE, ANTISCHEMIC AGENT | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-08-15 | — | — | US | disclosed |
| US-4831030-A | FOR CEREBROVASCULAR DISEASES; HYPERTENSIVE AGENTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-05-16 | — | — | US | disclosed |
| EP-0228845-A2 | N-containing heterocyclic compounds, processes for the preparation thereof and composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-07-15 | — | — | EP | disclosed |