Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MIF | P14174 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.39 |
| ▸ | CCR1 | P32246 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6744926 | 0.72 | PDE10A (0.53) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL2100275 | 0.71 | HTR2B (0.59) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL5669669 | 0.70 | KDM4E (0.57) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL6609203 | 0.69 | ALDH1A1 (0.72) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL30839442 | 0.69 | KDM4E (0.62) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL30664409 | 0.69 | ALDH1A1 (0.72) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL7063637 | 0.69 | KDM4E (0.76) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| Dipyridyl SCHEMBL20448088 | 0.68 | KDM4E (0.67) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| Dipyridyl SCHEMBL28655105 | 0.68 | KDM4E (0.67) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| Urea SCHEMBL21777343 | 0.68 | KDM4E (0.47) | KDM4EALDH1A1KMT2ANPC1RAB9A |
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 |