Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.33 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4600817 | 0.81 | SLC6A2 (0.54) | L3MBTL1HSD17B10ALDH1A1TSHRMAPK1 | |
| SCHEMBL27813912 | 0.78 | HDAC3 (0.47) | ALDH1A1HDAC3HDAC1HDAC2HDAC6 | |
| SCHEMBL28839218 | 0.78 | MAPT (0.43) | CYP3A4CYP2C19TP53CYP19A1L3MBTL1 | |
| SCHEMBL28837739 | 0.78 | CYP19A1 (0.57) | CYP3A4CYP19A1MAPK1MEN1KMT2A | |
| SCHEMBL27491087 | 0.77 | ATM (0.35) | NAPRTALDH1A1TSHRKMT2AKDM4E | |
| SCHEMBL27980328 | 0.76 | CES2 (0.38) | SLC6A3MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL28787356 | 0.73 | MAPKAPK2 (0.46) | CYP3A4CYP19A1ALDH1A1TSHRMAPK1 | |
| SCHEMBL27980221 | 0.73 | CES2 (0.41) | CYP2C19TSHRPTGS2SLC6A2SLC6A3 | |
| SCHEMBL27888327 | 0.72 | L3MBTL1 (0.43) | CYP3A4CYP2C19TP53CYP19A1L3MBTL1 | |
| SCHEMBL10824408 | 0.71 | CYP3A4 (0.43) | CYP3A4CYP2C19TP53CYP19A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105873987-A | Metal organic material and preparation method | 耶达研究及发展有限公司 | 2016-08-17 | — | — | CN | disclosed |