Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 11/20 | 0.49 |
| ▸ | NPC1 | O15118 | 10/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | NCF1 | P14598 | 2/20 | 0.48 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.47 |
| ▸ | PKM | P14618 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | THPO | P40225 | 2/20 | 0.47 |
| ▸ | GMNN | O75496 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 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 | |
|---|---|---|---|---|
| SCHEMBL15048619 | 0.79 | NPC1 (0.46) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL29374931 | 0.75 | RAB9A (0.64) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL170196 | 0.75 | RAB9A (0.64) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL31749169 | 0.73 | ADORA2B (0.38) | RAB9ANPC1MEN1KMT2AKDM4E | |
| SCHEMBL30883993 | 0.73 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ANCF1 | |
| Hydrochloric Acid SCHEMBL31243061 | 0.73 | ALDH1A1 (0.63) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL34463709 | 0.73 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL10866984 | 0.73 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL31365172 | 0.73 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ANCF1 | |
| SCHEMBL31490600 | 0.73 | RAB9A (0.61) | RAB9ANPC1MEN1KMT2ANCF1 |
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 |