Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | ACHE | P22303 | 5/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL6160716 | 0.83 | CYP3A4 (0.61) | CYP3A4ACHEBCHEFAAHALDH1A1 | |
| SCHEMBL28981602 | 0.82 | ESR1 (0.49) | BCHEALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL27753771 | 0.81 | TBXA2R (0.44) | CYP3A4ACHEBCHEFAAHALDH1A1 | |
| SCHEMBL27541469 | 0.81 | KMT2A (0.59) | CYP3A4ALDH1A1NPC1RAB9ANPSR1 | |
| SCHEMBL27691335 | 0.81 | NPC1 (0.48) | CYP3A4NPC1RAB9ANPSR1 | |
| SCHEMBL11798709 | 0.81 | FAAH (0.49) | CYP3A4BCHEFAAHALDH1A1 | |
| SCHEMBL27391395 | 0.81 | CYP3A4 (0.46) | CYP3A4ACHEBCHEFAAHALDH1A1 | |
| SCHEMBL21357271 | 0.79 | CYP1A2 (0.56) | CYP3A4ALDH1A1MAPK1NPC1RAB9A | |
| SCHEMBL27864672 | 0.79 | CYP3A4 (0.48) | CYP3A4ACHEBCHEFAAHALDH1A1 | |
| SCHEMBL1893211 | 0.79 | ALDH1A1 (0.51) | ALDH1A1NPC1RAB9AKMT2AMEN1 |
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-105283443-B | Hete rocyclic derivatives and application thereof | 株式会社C&C新药研究所 | 2018-08-17 | — | — | CN | disclosed |
| CN-105061438-B | Fused pyrimidine derivative for suppressing tyrosine kinase activity | 韩美科学株式会社 | 2017-07-04 | — | — | CN | disclosed |
| CN-102947316-B | Novel fused pyrimidine derivatives for inhibiting tyrosine kinase activity | 韩美科学株式会社 | 2016-08-10 | — | — | CN | disclosed |
| CN-105283443-A | Heterocyclic derivatives and use thereof | C & C RES LAB | 2016-01-27 | — | — | CN | disclosed |
| CN-105061438-A | Novel fused pyrimidine derivatives for inhibition of tyrosine kinase activity | HANMI HOLDINGS CO LTD | 2015-11-18 | — | — | CN | disclosed |