Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.38 |
| ▸ | ALB | P02768 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2841769 | 0.87 | TDP1 (0.48) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL3043522 | 0.83 | ALDH1A1 (0.59) | TDP1ALDH1A1L3MBTL1NPC1RAB9A | |
| SCHEMBL17626963 | 0.83 | TSHR (0.50) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL9118851 | 0.81 | TDP1 (0.43) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL215837 | 0.78 | TDP1 (0.67) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL22326013 | 0.77 | ALDH1A1 (0.43) | TDP1ALDH1A1GPR35L3MBTL1HTT | |
| SCHEMBL3586180 | 0.77 | TDP1 (0.44) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL4373852 | 0.76 | TDP1 (0.46) | TDP1ALDH1A1GPR35L3MBTL1RECQL | |
| SCHEMBL8605791 | 0.75 | TDP1 (0.47) | TDP1ALDH1A1GPR35L3MBTL1NPC1 | |
| SCHEMBL692289 | 0.74 | CD44 (0.40) | TDP1ALDH1A1TSHRKMT2AKDM4E |
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-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |