Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18569860 | 0.77 | MEN1 (0.36) | ALDH1A1KDM4EMAPTPOLBMAOB | |
| SCHEMBL18102201 | 0.75 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL11983452 | 0.75 | ALDH1A1 (0.60) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL16194600 | 0.74 | MEN1 (0.38) | ALDH1A1MAPTPOLBMAOBMEN1 | |
| SCHEMBL24989822 | 0.74 | KDM4E (0.58) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL27739339 | 0.74 | KDM4E (0.58) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL11929541 | 0.71 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL21384157 | 0.71 | KDM4E (0.55) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL28605468 | 0.71 | KDM4E (0.55) | ALDH1A1KDM4EMAPTPOLBCYP1A2 | |
| SCHEMBL9609775 | 0.71 | ALDH1A1 (0.55) | ALDH1A1KDM4EMAPTPOLBCYP1A2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3510025-B1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2022-06-29 | — | — | EP | disclosed |
| WO-2018049296-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-03-15 | — | — | WO | 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 |