Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9330568 | 0.81 | AKR1C1 (0.47) | — | |
| SCHEMBL4943758 | 0.81 | CCR2 (0.46) | SLC6A4SLC6A2OPRM1SLC6A3KDM1A | |
| SCHEMBL11078556 | 0.78 | ADAM17 (0.61) | ADAM17ALDH1A1MEN1KMT2AKDM1A | |
| SCHEMBL11078559 | 0.78 | ADAM17 (0.61) | ADAM17ALDH1A1MEN1KMT2AKDM1A | |
| SCHEMBL9330906 | 0.76 | AKR1C1 (0.50) | SLC6A4SLC6A2SLC6A3 | |
| SCHEMBL7467608 | 0.76 | AKR1C1 (0.59) | ALDH1A1SLC6A4MEN1KMT2ASLC6A2 | |
| SCHEMBL521247 | 0.76 | AKR1C1 (0.54) | ADAM17ALDH1A1MEN1KMT2AOPRM1 | |
| SCHEMBL1465003 | 0.75 | KMT2A (0.50) | ADAM17ALDH1A1MEN1KMT2AOPRM1 | |
| SCHEMBL13941680 | 0.75 | SLC6A4 (0.65) | ALDH1A1SLC6A4MEN1KMT2ASLC6A2 | |
| SCHEMBL16115468 | 0.75 | SLC6A4 (0.65) | ALDH1A1SLC6A4MEN1KMT2ASLC6A2 |
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-6358956-B1 | IMIDAZOLYLALKYL-1-PIPERAZINE DERIVATIVES; FARNESYL-PROTEIN AND GERANYLGERANYL TRANSFERASE INHIBITORS; ANTICARCINOGENIC AGENTS | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |