Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 6/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16220652 | 0.87 | MMP13 (0.49) | MCHR1SMN1; SMN2NPC1KMT2AKDM4E | |
| SCHEMBL16220646 | 0.80 | NAMPT (0.54) | HDAC1 | |
| SCHEMBL14562080 | 0.78 | NPC1 (0.65) | SMN1; SMN2NPC1KMT2AALDH1A1RAB9A | |
| SCHEMBL7274569 | 0.72 | KDM4E (0.56) | MCHR1SMN1; SMN2NPC1KMT2AKDM4E | |
| SCHEMBL18569599 | 0.72 | MMP13 (0.43) | SMN1; SMN2NPC1KDM4EALDH1A1GAA | |
| SCHEMBL17914163 | 0.70 | NPC1 (0.71) | SMN1; SMN2NPC1KMT2AALDH1A1RAB9A | |
| SCHEMBL12279683 | 0.70 | NPC1 (0.65) | SMN1; SMN2NPC1KMT2AALDH1A1RAB9A | |
| SCHEMBL8404712 | 0.70 | SMN1; SMN2 (0.55) | SMN1; SMN2NPC1KMT2AALDH1A1RAB9A | |
| SCHEMBL5656002 | 0.69 | SMN1; SMN2 (0.58) | MCHR1SMN1; SMN2NPC1KMT2AKDM4E | |
| SCHEMBL17027723 | 0.69 | HDAC1 (0.56) | SMN1; SMN2NPC1KMT2AKDM4EALDH1A1 |
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 |