Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.38 |
| ▸ | CTSA | P10619 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.37 |
| ▸ | CCR5 | P51681 | 1/20 | 0.37 |
| ▸ | CCR8 | P51685 | 1/20 | 0.37 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17297335 | 0.86 | ALDH1A1 (0.41) | ALDH1A1L3MBTL1MAPTCTSANPC1 | |
| SCHEMBL12677912 | 0.83 | ALDH1A1 (0.69) | ALDH1A1L3MBTL1MAPTHPGDTDP1 | |
| SCHEMBL6615353 | 0.81 | ALDH1A1 (0.45) | ALDH1A1L3MBTL1MAPTTRPV1NPC1 | |
| SCHEMBL4947098 | 0.78 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTHPGDCTSA | |
| SCHEMBL2160637 | 0.78 | ALDH1A1 (0.44) | ALDH1A1L3MBTL1MAPTCTSANPC1 | |
| SCHEMBL3677823 | 0.75 | CES2 (0.52) | ALDH1A1L3MBTL1HPGDSMN1; SMN2KDM4E | |
| SCHEMBL16569986 | 0.74 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1MAPTHPGDTDP1 | |
| SCHEMBL17820448 | 0.74 | UHRF1 (0.43) | ALDH1A1MAPTCTSANPC1RAB9A | |
| SCHEMBL6985934 | 0.74 | MAPT (0.43) | ALDH1A1L3MBTL1MAPTHPGDTDP1 | |
| SCHEMBL13852609 | 0.72 | KMT2A (0.52) | CTSASMN1; SMN2MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2991981-B1 | DIAMINOPYRAZINE COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2017-03-01 | — | — | EP | disclosed |