Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.41 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.41 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.41 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | P2RX4 | Q99571 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1465481 | 0.77 | CYP19A1 (0.51) | CYP19A1HRH4MAPTPOLBMAOB | |
| SCHEMBL28048979 | 0.76 | ALDH1A1 (0.46) | HRH4RAB9AMAPTPOLBALDH1A1 | |
| SCHEMBL11820426 | 0.73 | CNR2 (0.50) | NPC1RAB9AMAPTALDH1A1USP2 | |
| SCHEMBL28049107 | 0.72 | KDM4E (0.37) | MAPTALDH1A1CYP3A4USP2THRB | |
| SCHEMBL1673078 | 0.71 | CYP19A1 (0.76) | CYP19A1HRH4NPC1RAB9AMAPT | |
| SCHEMBL1465497 | 0.70 | CYP19A1 (0.52) | CYP19A1HRH4MAPTPOLBMAOB | |
| SCHEMBL28389620 | 0.70 | CYP19A1 (0.59) | CYP19A1HRH4NPC1RAB9AMAPT | |
| SCHEMBL18992722 | 0.70 | NPC1 (0.69) | NPC1RAB9AMAPTPOLBALDH1A1 | |
| SCHEMBL27887892 | 0.69 | HRH4 (0.40) | CYP19A1HRH4MAPTPOLBMAOB | |
| SCHEMBL28067644 | 0.69 | NPC1 (0.46) | NPC1RAB9AMAPTALDH1A1PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348168-A | 1-(2-(adamantane-1-yl)-1H-indole-5-yl)-3-substituted urea derivative, preparation and use thereof | UNIV XIAMEN | 2016-02-24 | — | — | CN | disclosed |
| CN-105348168-A | 1-(2-(adamantane-1-yl)-1H-indole-5-yl)-3-substituted urea derivative, preparation and use thereof | UNIV XIAMEN | 2016-02-24 | — | — | CN | disclosed |