Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.45 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.41 |
| ▸ | ANPEP | P15144 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6572040 | 1.00 | LNPEP (0.45) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL22804064 | 0.86 | ESR1 (0.56) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL765300 | 0.86 | ATM (0.54) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL29057553 | 0.86 | ESR1 (0.56) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL10587222 | 0.86 | ESR1 (0.56) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL6658615 | 0.85 | NOS2 (0.44) | LNPEPNOS2TSHRNOS3NOS1 | |
| SCHEMBL1503825 | 0.85 | NOS2 (0.54) | NOS2NOS3NOS1ATMALDH1A1 | |
| SCHEMBL3499885 | 0.84 | ATM (0.58) | NOS2TSHRNOS3NOS1ATM | |
| SCHEMBL27925079 | 0.84 | ATM (0.58) | NOS2TSHRNOS3NOS1ATM | |
| SCHEMBL1274700 | 0.84 | ATM (0.58) | NOS2TSHRNOS3NOS1ATM |
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-4153715-A | Indolyl amino acids useful as antihypertensive agents | MERCK & CO., INC. (US) | 1979-05-08 | — | — | US | disclosed |