Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCG2 | Q9UNQ0 | 5/20 | 0.59 |
| ▸ | MAOB | P27338 | 6/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 1/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | PPARG | P37231 | 1/20 | 0.56 |
| ▸ | MAOA | P21397 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565701 | 0.91 | ABCG2 (0.69) | ABCG2KDM4EALDH1A1MAPTHPGD | |
| SCHEMBL17523228 | 0.91 | ABCG2 (0.58) | ABCG2MAOBACHEKDM4EMEN1 | |
| SCHEMBL117674 | 0.87 | MAOB (0.50) | ABCG2MAOBACHEPPARGMAOA | |
| SCHEMBL20169884 | 0.87 | CYP3A4 (0.61) | ABCG2MAOBACHEKDM4EMEN1 | |
| SCHEMBL31031156 | 0.84 | AR (0.59) | ABCG2MAOBACHEPPARGAR | |
| SCHEMBL5320049 | 0.83 | ADRB2 (0.52) | ABCG2MAOBACHEKDM4EMEN1 | |
| SCHEMBL4150944 | 0.83 | MAOB (0.51) | ABCG2MAOBACHEMAPTPPARG | |
| SCHEMBL972002 | 0.83 | KDM4E (0.68) | ABCG2KDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL10769734 | 0.83 | ABCG2 (0.72) | ABCG2KDM4EMEN1ALDH1A1CYP3A4 | |
| SCHEMBL27491848 | 0.83 | KDM4E (0.66) | MAOBACHEKDM4EMEN1ALDH1A1 |
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-2981260-B1 | NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS | SPHAERA PHARMA PRIVATE LTD (IN) | 2021-01-13 | — | — | EP | disclosed |
| US-9975869-B2 | Analogues of epicatechin and related polyphenols | SPHAERA PHARMA PVT. LTD. (IN) | 2018-05-22 | — | — | US | disclosed |