Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 2/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | FEN1 | P39748 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.36 |
| ▸ | HBB | P68871 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21191121 | 0.85 | LMNA (0.50) | LTA4HFEN1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL29074786 | 0.80 | SCN9A (0.42) | MAOBRAB9AKDM4EMAPTPOLB | |
| SCHEMBL21295547 | 0.79 | MAOB (0.43) | MAOBMAOATRPA1MEN1KMT2A | |
| SCHEMBL2703112 | 0.79 | KAT2B (0.41) | TRPA1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL30127171 | 0.79 | SMN1; SMN2 (0.56) | MAOBMAOAMEN1KMT2ANPC1 | |
| SCHEMBL23195489 | 0.77 | MAOB (0.46) | MAOBMAOARAB9ALTA4HCA12 | |
| SCHEMBL22009628 | 0.76 | MEN1 (0.47) | MAOBMAOAMEN1KMT2ANPC1 | |
| SCHEMBL29716235 | 0.76 | MEN1 (0.47) | MAOBMAOAMEN1KMT2ANPC1 | |
| SCHEMBL16248223 | 0.76 | MAPK8 (0.36) | TRPA1LTA4HTSHRMAPTPOLB | |
| SCHEMBL10989654 | 0.73 | LMNA (0.44) | MEN1KMT2ANPC1RAB9ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019141131-A1 | BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF | 中国科学院上海药物研究所 | 2019-07-25 | — | — | WO | disclosed |
| US-9359548-B2 | Organic electroluminescent device | UDC IRELAND LIMITED (IE) | 2016-06-07 | — | — | US | disclosed |