Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | RELA | Q04206 | 2/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3269377 | 0.78 | L3MBTL1 (0.42) | L3MBTL1NPC1ALDH1A1RELACYP2A6 | |
| SCHEMBL2963738 | 0.78 | L3MBTL1 (0.42) | L3MBTL1NPC1ALDH1A1RELACYP2A6 | |
| SCHEMBL6286927 | 0.77 | NPC1 (0.47) | L3MBTL1NPC1RELAGRM5MAOB | |
| SCHEMBL3269032 | 0.74 | RELA (0.46) | L3MBTL1ALDH1A1RELACYP2A6GRM5 | |
| SCHEMBL169417 | 0.74 | RELA (0.46) | L3MBTL1ALDH1A1RELACYP2A6GRM5 | |
| SCHEMBL17258741 | 0.70 | PSIP1 (0.39) | L3MBTL1NPC1ALDH1A1RELACYP2A6 | |
| SCHEMBL27799942 | 0.70 | NPC1 (0.49) | L3MBTL1NPC1ALDH1A1CYP2A6TSHR | |
| SCHEMBL815790 | 0.70 | TP53 (0.36) | L3MBTL1NPC1ALDH1A1RELAGRM5 | |
| Styrene SCHEMBL187730 | 0.70 | ALDH1A1 (0.64) | L3MBTL1NPC1ALDH1A1RELACYP2A6 | |
| SCHEMBL3218846 | 0.69 | MEN1 (0.50) | NPC1ALDH1A1MAOBMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444235-B1 | REVERSE-TURN MIMETICS AND METHOD RELATING THERETO | CHOONGWAE PHARMA CORP (KR) | 2008-06-11 | — | — | EP | disclosed |