Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6862858 | 0.96 | DHFR (0.46) | DHFRSMN1; SMN2MEN1SLC22A1ALDH1A1 | |
| SCHEMBL6870371 | 0.90 | DHFR (0.45) | DHFRSMN1; SMN2MEN1SLC22A1ALDH1A1 | |
| SCHEMBL6862571 | 0.86 | DHFR (0.45) | DHFRSMN1; SMN2MEN1SLC22A1ALDH1A1 | |
| SCHEMBL6870543 | 0.86 | DHFR (0.46) | DHFRSMN1; SMN2MEN1SLC22A1ALDH1A1 | |
| SCHEMBL6863431 | 0.84 | DHFR (0.46) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6871233 | 0.82 | DHFR (0.52) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6862697 | 0.82 | LMNA (0.54) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6869280 | 0.81 | DHFR (0.61) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6871275 | 0.81 | DHFR (0.60) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 | |
| SCHEMBL6862767 | 0.81 | DHFR (0.43) | DHFRMEN1SLC22A1ALDH1A1CYP3A4 |
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-6703397-B2 | REACTING A NITRILE GROUP CONTAINING INDOLE DERIVEATIVE WITH GUANIDINE OR SALT; USEFUL AS PROHYLAXIS OR THERAPEUTICAL TREATMENT OF INFECTIOUS DISEASES | BASILEA PHARMACEUTICA AG (CH) | 2004-03-09 | — | — | US | disclosed |