Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.64 |
| ▸ | NPC1 | O15118 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.59 |
| ▸ | CES1 | P23141 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.57 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.56 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL47353 | 0.85 | MMP13 (0.66) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL11246936 | 0.84 | MMP13 (0.64) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL11354985 | 0.83 | KDM4E (0.67) | NPC1RAB9AHPGDGAAMEN1 | |
| SCHEMBL31178805 | 0.83 | MAPK1 (0.72) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL8947214 | 0.83 | MAPK1 (0.72) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL30098865 | 0.83 | ALDH1A1 (0.73) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL11756934 | 0.83 | GAA (0.73) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL9491894 | 0.83 | GAA (0.73) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL5672356 | 0.83 | HPGD (0.72) | MMP13NPC1RAB9AHPGDGAA | |
| SCHEMBL6361446 | 0.83 | GAA (0.73) | MMP13NPC1RAB9AHPGDGAA |
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-4362875-A | Process for preparing (1-acylaminomethyl)-1,2,3,4-tetrahydroisoquinolines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-12-07 | — | — | US | disclosed |