Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2321391 | 0.79 | MAPK1 (0.50) | ALDH1A1MAPK1TSHRKDM4EHTT | |
| SCHEMBL30366458 | 0.74 | KDM4E (0.51) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL1445139 | 0.74 | KDM4E (0.51) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL11219511 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL14725974 | 0.73 | ALDH1A1 (0.48) | ALDH1A1MAPK1TSHRKDM4ENPSR1 | |
| SCHEMBL11222315 | 0.73 | AR (0.40) | ALDH1A1MAPK1TSHRKDM4EHPGD | |
| SCHEMBL2321570 | 0.71 | ROCK2 (0.63) | ALDH1A1MAPK1TSHRNPSR1POLB | |
| SCHEMBL14725971 | 0.70 | ALDH1A1 (0.44) | ALDH1A1MAPK1TSHRKDM4EGAA | |
| SCHEMBL9900096 | 0.70 | POLB (0.46) | ALDH1A1MAPK1TSHRKDM4EHPGD | |
| SCHEMBL2454264 | 0.70 | PDE10A (0.45) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4343802-A | ADRENERGIC BLOCKING, ANTIARRYHYTHMIA, AND CARDIOTONIC AGENTS | MERCK, SHARP & DOHME (I.A.) CORP. (US) | 1982-08-10 | — | — | US | disclosed |
| US-4193995-A | B-ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-03-18 | — | — | US | disclosed |
| US-4042586-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1977-08-16 | — | — | US | disclosed |
| US-3946009-A | ADRENERGIC BLOCKING AGENTS | MERCK SHARP & DOHME (I.A.) CORPORATION (US) | 1976-03-23 | — | — | US | disclosed |