Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LIPG | Q9Y5X9 | 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 | |
|---|---|---|---|---|
| SCHEMBL21187139 | 1.00 | NPC1 (0.45) | NPC1RAB9AKMT2ADGAT1ALDH1A1 | |
| SCHEMBL21176799 | 0.82 | KMT2A (0.43) | NPC1RAB9AKMT2ADGAT1ALDH1A1 | |
| SCHEMBL21176800 | 0.82 | KMT2A (0.43) | NPC1RAB9AKMT2ADGAT1ALDH1A1 | |
| SCHEMBL21187134 | 0.80 | NPC1 (0.48) | NPC1RAB9AKMT2ADGAT1ALDH1A1 | |
| SCHEMBL21187121 | 0.74 | MEN1 (0.46) | NPC1RAB9AKMT2ADGAT1ALDH1A1 | |
| SCHEMBL21187213 | 0.74 | NPC1 (0.48) | NPC1RAB9AKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL21187183 | 0.74 | RAB9A (0.46) | NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL21187143 | 0.74 | RAB9A (0.46) | NPC1RAB9AALDH1A1L3MBTL1SMN1; SMN2 | |
| SCHEMBL11265122 | 0.68 | NPC1 (0.85) | NPC1RAB9AKMT2AMEN1EPHX2 | |
| SCHEMBL21187148 | 0.68 | MAOA (0.45) | NPC1RAB9AKMT2AALDH1A1EPHX2 |
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-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |