Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.48 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27967578 | 0.92 | PKM (0.58) | PKMALDH1A1KMT2ATDP1NPC1 | |
| SCHEMBL28171736 | 0.88 | RAB9A (0.65) | PKMALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL8432905 | 0.81 | ALDH1A1 (0.65) | ALDH1A1KMT2AMEN1TDP1NPC1 | |
| SCHEMBL27934943 | 0.81 | ALDH1A1 (0.53) | PKMALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL23183003 | 0.81 | ALDH1A1 (0.59) | ALDH1A1KMT2AMEN1TDP1NPC1 | |
| SCHEMBL29048447 | 0.80 | PDE4B (0.55) | PKMALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL6613660 | 0.80 | KMT2A (0.59) | PKMALDH1A1KMT2AMEN1TDP1 | |
| SCHEMBL28133879 | 0.79 | PDE4D (0.62) | PKMKMT2AMEN1TDP1NPC1 | |
| SCHEMBL5196123 | 0.79 | TDP1 (0.56) | ALDH1A1KMT2AMEN1TDP1NPC1 | |
| SCHEMBL10927698 | 0.79 | PARP15 (0.48) | PKMKMT2AMEN1NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020118194-A1 | NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2020-06-11 | — | — | WO | disclosed |