Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | PGR | P06401 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.47 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | MB | P02144 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL22453686 | 0.83 | NPC1 (0.67) | NPC1PGRSMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL12302270 | 0.81 | NPC1 (0.59) | NPC1PGRSMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL28205308 | 0.78 | NPC1 (0.82) | NPC1PGRSMN1; SMN2POLBKMT2A | |
| SCHEMBL12302267 | 0.75 | NPC1 (0.69) | NPC1PGRSMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL22445036 | 0.73 | NPC1 (1.00) | NPC1PGRSMN1; SMN2POLBMAPT | |
| SCHEMBL861674 | 0.73 | SMN1; SMN2 (0.84) | NPC1SMN1; SMN2HTTL3MBTL1POLB | |
| SCHEMBL344102 | 0.72 | ESR2 (0.42) | NPC1SMN1; SMN2KMT2AMEN1MAPT | |
| SCHEMBL12332111 | 0.72 | NPC1 (0.56) | NPC1PGRSMN1; SMN2HTTL3MBTL1 | |
| SCHEMBL5082233 | 0.72 | RXRA (0.47) | SMN1; SMN2ALDH1A1CYP3A4RARGTSHR | |
| SCHEMBL11549695 | 0.70 | MAOB (0.38) | L3MBTL1KMT2AMEN1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104592034-B | A kind of synthetic method of 1,3-diamino-phenyl-5,7-dimethyladamantane | 中钢集团鞍山热能研究院有限公司 | 2016-07-20 | — | — | CN | claimed |
| CN-104592034-A | Synthetic method of 1, 3-diamidophenyl-5, 7-dimethyl adamantane | SINOSTEEL ANSHAN RES INST OF THERMO ENERGY CO LTD | 2015-05-06 | — | — | CN | claimed |
| CN-104592034-B | A kind of synthetic method of 1,3-diamino-phenyl-5,7-dimethyladamantane | 中钢集团鞍山热能研究院有限公司 | 2016-07-20 | — | — | CN | disclosed |
| CN-104592034-A | Synthetic method of 1, 3-diamidophenyl-5, 7-dimethyl adamantane | SINOSTEEL ANSHAN RES INST OF THERMO ENERGY CO LTD | 2015-05-06 | — | — | CN | disclosed |
| CN-104592034-A | Synthetic method of 1, 3-diamidophenyl-5, 7-dimethyl adamantane | SINOSTEEL ANSHAN RES INST OF THERMO ENERGY CO LTD | 2015-05-06 | — | — | CN | disclosed |