Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | IKBKB | O14920 | 1/20 | 0.40 |
| ▸ | PHGDH | O43175 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15048564 | 0.82 | NPC1 (0.42) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15048620 | 0.79 | RAB9A (0.49) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL2678185 | 0.76 | PHGDH (0.60) | PHGDHPIN1 | |
| SCHEMBL15048611 | 0.76 | PDE10A (0.40) | ALDH1A1PHGDHMEN1KMT2APKM | |
| SCHEMBL16061335 | 0.76 | P2RY6 (0.46) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15048551 | 0.75 | KLK3 (0.48) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL2292208 | 0.71 | GRM5 (0.49) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL15048497 | 0.70 | PDK1 (0.48) | KDM4ESMN1; SMN2PHGDHMEN1KMT2A | |
| SCHEMBL31412430 | 0.70 | CHRM1 (0.37) | NPC1RAB9AKDM4EPHGDH | |
| SCHEMBL30463339 | 0.69 | AR (0.59) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | claimed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | claimed |
| EP-2526098-B1 | NITROGEN-CONTAINING HETEROARYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2018-07-11 | — | — | EP | disclosed |
| US-8470820-B2 | Nitrogen-containing heteroaryl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2013-06-25 | — | — | US | disclosed |