Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | CDK4 | P11802 | 3/20 | 0.49 |
| ▸ | CCND1 | P24385 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CDK2 | P24941 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2799588 | 0.78 | MC5R (0.64) | ADORA2ARAB9AKMT2ALMNAKDM4E | |
| SCHEMBL4628984 | 0.75 | MEN1 (0.80) | ADORA2ARAB9ACDK4CCND1KMT2A | |
| SCHEMBL7618325 | 0.74 | ALDH1A1 (0.38) | RAB9AALDH1A1 | |
| SCHEMBL7615208 | 0.74 | SIRT1 (0.62) | RAB9ACDK4CCND1KMT2ALMNA | |
| SCHEMBL7621382 | 0.73 | MIF (0.54) | KMT2AKDM4EHTTMEN1MAPT | |
| SCHEMBL7619431 | 0.71 | SCN5A (0.39) | RAB9AALDH1A1 | |
| SCHEMBL5598639 | 0.70 | HTR2A (0.61) | KMT2AKDM4EALDH1A1HTTSLC6A4 | |
| SCHEMBL5513944 | 0.70 | MAPT (0.57) | ADORA2ARAB9AKMT2ALMNAKDM4E | |
| Tryptamine SCHEMBL28985489 | 0.69 | HTR2A (0.81) | KMT2AKDM4EALDH1A1HTTSIRT1 | |
| SCHEMBL28236251 | 0.68 | SLC6A4 (0.59) | CDK4CCND1KMT2AKDM4EALDH1A1 |
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-1202718-A2 | SUBSTITUTED GUANIDINES FOR THE TREATMENT OF CANCER AND PAIN | Kadmus Pharmaceuticals, Inc. (US) | 2002-05-08 | — | — | EP | disclosed |
| WO-2001007029-A2 | SUBSTITUTED GUANIDINES AND THE USE THEREOF | KADMUS PHARMACEUTICALS, INC. (US) | 2001-02-01 | — | — | WO | disclosed |