Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.38 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL1811979 | 0.81 | HPGD (0.44) | KMT2ANPSR1CYP1A2POLBCYP2C9 | |
| SCHEMBL7846101 | 0.80 | KDM4E (0.56) | KMT2AKDM4EGAAHPGDMAPT | |
| SCHEMBL1810544 | 0.74 | KMT2A (0.59) | KMT2ANPSR1CYP1A2POLBCYP2C9 | |
| SCHEMBL29593855 | 0.74 | ATR (0.50) | KMT2APOLBTDP1KDM4EGAA | |
| SCHEMBL15351124 | 0.74 | ATR (0.50) | KMT2APOLBTDP1KDM4EGAA | |
| SCHEMBL1809309 | 0.72 | KDM4E (0.40) | KMT2ANPSR1CYP1A2POLBCYP2C9 | |
| SCHEMBL1269967 | 0.70 | LMNA (0.63) | KMT2ANPSR1TDP1KDM4EGAA | |
| SCHEMBL31456460 | 0.69 | ALDH1A1 (0.49) | KMT2ACYP1A2POLBKDM4EGAA | |
| SCHEMBL31456457 | 0.69 | ALDH1A1 (0.49) | KMT2ACYP1A2POLBKDM4EGAA | |
| SCHEMBL1811701 | 0.68 | LIMK1 (0.46) | KMT2ANPSR1CYP1A2POLBCYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011056725-A1 | PYRIDINE DERIVATIVES AND METHODS OF USE THEREOF | CRYSTALGENOMICS, INC. (KR) | 2011-05-12 | — | — | WO | disclosed |