Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.36 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.36 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10588784 | 0.84 | LMNA (0.35) | CCNE1CDK2ADORA1ALDH1A1LMNA | |
| SCHEMBL9769330 | 0.80 | ADRB2 (0.44) | TSHRSMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL28891535 | 0.79 | P2RX3 (0.37) | CCNE1CDK2CDK5MAPK1TSHR | |
| SCHEMBL20819399 | 0.76 | SMN1; SMN2 (0.40) | SMN1; SMN2RECQLFFAR2ALDH1A1HTT | |
| SCHEMBL20832742 | 0.76 | SMN1; SMN2 (0.40) | SMN1; SMN2RECQLFFAR2ALDH1A1HTT | |
| SCHEMBL9769380 | 0.76 | CCNE1 (0.45) | CCNE1CDK2CDK5TSHRADORA1 | |
| SCHEMBL9769375 | 0.76 | CCNE1 (0.40) | CCNE1CDK2CDK5MAPK1TSHR | |
| SCHEMBL9769346 | 0.76 | CDK5 (0.41) | CCNE1CDK2CDK5MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL20819391 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2RECQLALDH1A1 | |
| Hydrochloric Acid SCHEMBL20819389 | 0.76 | SMN1; SMN2 (0.39) | SMN1; SMN2RECQLALDH1A1 |
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-5019578-A | β-adrenergic agonists | MERCK & CO., INC. (US) | 1991-05-28 | — | — | US | disclosed |
| EP-0318092-A2 | Novel beta-adrenergic agonists | MERCK & CO. INC. (US) | 1989-05-31 | — | — | EP | disclosed |
| US-4816457-A | HYPOTENSIVE AGENTS, BRONCHODILATORS, EYES | MERCK & CO., INC., A CORP. OF NJ | 1989-03-28 | — | — | US | disclosed |