Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.78 |
| ▸ | NPC1 | O15118 | 2/20 | 0.78 |
| ▸ | ATM | Q13315 | 1/20 | 0.78 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | EGFR | P00533 | 2/20 | 0.62 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL16384058 | 0.84 | ALDH1A1 (0.83) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL1524743 | 0.75 | RAF1 (0.46) | ALDH1A1NPC1ATM | |
| SCHEMBL29446089 | 0.72 | SMN1; SMN2 (0.74) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL27330852 | 0.71 | ABL1 (0.66) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL5029684 | 0.71 | PIK3CB (1.00) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL821715 | 0.71 | NPC1 (0.69) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL28050496 | 0.69 | EGFR (0.55) | ALDH1A1NPC1ATMEGFRERBB3 | |
| SCHEMBL34462969 | 0.69 | SMN1; SMN2 (0.65) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL22246037 | 0.69 | EGFR (0.57) | ALDH1A1NPC1ATMRAB9AEGFR | |
| SCHEMBL14335466 | 0.69 | SMN1; SMN2 (0.63) | ALDH1A1RAB9ASMN1; SMN2KDM4EKMT2A |
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-9695193-B2 | Inhibitors of Plasmodium falciparum equilibrative nucleoside transporter type I as anti-parasitic compounds | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2017-07-04 | — | — | US | disclosed |