Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.42 |
| ▸ | RAB9A | P51151 | 7/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL544649 | 0.83 | ALDH1A1 (0.44) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL7077615 | 0.74 | SRC (0.51) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL474984 | 0.66 | HPGD (0.34) | KDM4ESMN1; SMN2HPGDADORA2A | |
| SCHEMBL7000689 | 0.66 | RIPK2 (0.50) | NPC1RAB9AKDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL16917057 | 0.66 | SRC (0.37) | KDM4EALDH1A1SMN1; SMN2MAPTHPGD | |
| SCHEMBL21721144 | 0.65 | — | — | |
| SCHEMBL21721143 | 0.65 | — | — | |
| SCHEMBL21721125 | 0.65 | ADORA2A (0.33) | ADORA2A | |
| SCHEMBL18199870 | 0.65 | KMT2A (0.61) | NPC1RAB9AKDM4EKIF11ALDH1A1 | |
| SCHEMBL29299450 | 0.64 | KDM4E (0.49) | NPC1RAB9AKDM4EKIF11ALDH1A1 |
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-1140938-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | Princeton University (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000042042-A2 | HIGH AFFINITY INHIBITORS FOR TARGET VALIDATION AND USES THEREOF | PRINCETON UNIVERSITY (US) | 2000-07-20 | — | — | WO | disclosed |