Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.45 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL746548 | 0.84 | NPC1 (0.49) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL746358 | 0.78 | NPC1 (0.46) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL20858962 | 0.78 | RAB9A (0.48) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL746171 | 0.76 | ABCB1 (0.54) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL745621 | 0.72 | ABCG2 (0.53) | MAOBABCB1KMT2AMAPTNPSR1 | |
| SCHEMBL19183189 | 0.71 | NFE2L2 (0.74) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL19183192 | 0.71 | NFE2L2 (0.74) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| SCHEMBL20858960 | 0.71 | RAB9A (0.45) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL748259 | 0.71 | ABCG2 (0.52) | MAOBABCB1KMT2AMAPTNPSR1 | |
| SCHEMBL7027348 | 0.70 | NPC1 (0.44) | NPC1RAB9ACYP1A1CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2429292-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | Georgia State University Research Foundation, Inc. (US) | 2012-03-21 | — | — | EP | claimed |
| WO-2010129858-A1 | COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR THE TREATMENT OF CANCER | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2010-11-11 | — | — | WO | claimed |