Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.57 |
| ▸ | NAMPT | P43490 | 2/20 | 0.50 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.50 |
| ▸ | JAK2 | O60674 | 1/20 | 0.50 |
| ▸ | TYK2 | P29597 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MDM4 | O15151 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3649700 | 0.82 | NPC1 (0.46) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL18920602 | 0.73 | SMN1; SMN2 (0.72) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL4243217 | 0.73 | BCAT2 (1.00) | NPC1RAB9AKDM4ELMNABCAT2 | |
| SCHEMBL14759559 | 0.69 | KMT2A (0.48) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL17079639 | 0.69 | CSNK2A2 (0.53) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL29220747 | 0.68 | HCAR3 (0.71) | NPC1RAB9AKDM4EBCAT2KMT2A | |
| SCHEMBL3299661 | 0.67 | ADORA1 (0.70) | NPC1RAB9ALMNABCAT2JAK2 | |
| SCHEMBL11831465 | 0.67 | MEN1 (0.64) | NPC1RAB9AKDM4EBCAT2JAK2 | |
| SCHEMBL164882 | 0.67 | JAK2 (1.00) | NPC1RAB9AKDM4EALDH1A1PKM | |
| SCHEMBL27822956 | 0.67 | MEN1 (0.58) | NPC1RAB9AALDH1A1PKMKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1097147-A4 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | claimed |
| EP-1097147-A1 | NOVEL ANGIOGENESIS INHIBITORS | Merck & Co., Inc. (US) | 2001-05-09 | — | — | EP | claimed |
| WO-2000002871-A1 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO., INC. (US) | 2000-01-20 | — | — | WO | claimed |
| WO-2014079850-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2014-05-30 | — | — | WO | disclosed |
| EP-1097147-A4 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO INC (US) | 2001-11-21 | — | — | EP | disclosed |
| EP-1097147-A1 | NOVEL ANGIOGENESIS INHIBITORS | Merck & Co., Inc. (US) | 2001-05-09 | — | — | EP | disclosed |
| WO-2000002871-A1 | NOVEL ANGIOGENESIS INHIBITORS | MERCK & CO., INC. (US) | 2000-01-20 | — | — | WO | disclosed |