Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | METTL3 | Q86U44 | 2/20 | 0.43 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.42 |
| ▸ | MLLT1 | Q03111 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18569710 | 0.87 | MCHR1 (0.42) | MMP13MCHR1KDM4EALDH1A1METTL3 | |
| SCHEMBL18569599 | 0.83 | MMP13 (0.43) | MMP13KDM4EALDH1A1METTL3POLB | |
| SCHEMBL27326897 | 0.81 | MCHR1 (0.52) | MMP13MCHR1KDM4EALDH1A1METTL3 | |
| SCHEMBL6061218 | 0.80 | CYP3A4 (0.53) | MMP13KDM4EALDH1A1POLBGAA | |
| SCHEMBL16220645 | 0.76 | NAMPT (0.61) | — | |
| SCHEMBL1105925 | 0.76 | ALDH1A1 (0.54) | MCHR1KDM4EALDH1A1POLBNPC1 | |
| SCHEMBL15273770 | 0.76 | MCHR1 (0.49) | MCHR1KDM4EALDH1A1POLBNPC1 | |
| SCHEMBL7274569 | 0.75 | KDM4E (0.56) | MCHR1KDM4EALDH1A1POLBNPC1 | |
| SCHEMBL10053505 | 0.74 | MCHR1 (0.48) | MCHR1KDM4EALDH1A1POLBNPC1 | |
| SCHEMBL764574 | 0.73 | MMP13 (0.81) | MMP13KDM4EALDH1A1POLBNPC1 |
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 2 patents. 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 |
| WO-2014177469-A1 | DIAMINOPYRAZINE COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH,M (DE) | 2014-11-06 | — | — | WO | disclosed |