Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 7/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 5/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7563948 | 0.74 | — | — | |
| SCHEMBL31390038 | 0.71 | ALDH1A1 (0.56) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL64806 | 0.71 | ALDH1A1 (0.56) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| Hydrazine SCHEMBL28260617 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL27653414 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| Hydrogen Sulfide SCHEMBL28320748 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL430346 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| Hydrochloric Acid SCHEMBL1286518 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| Naphthalene SCHEMBL28349112 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL28259949 | 0.69 | ALDH1A1 (0.54) | SLC6A2KDM4EALDH1A1MAPTHPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1179526-A2 | Cyanoethylation of cycloaliphatic vicinal primary diamines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2002-02-13 | — | — | EP | disclosed |
| US-6245932-B1 | REACTING ACRYLONITRILE AND A DIAMINE IN THE PRESENCE OF WATER AS A CATALYST | AIR PRODUCTS AND CHEMICALS, INC. | 2001-06-12 | — | — | US | disclosed |