Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | STAT6 | P42226 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 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 | |
|---|---|---|---|---|
| SCHEMBL7270144 | 0.83 | NAPRT (0.44) | KDM4ECYP3A4TDP1LMNATSHR | |
| SCHEMBL1767096 | 0.83 | RAB9A (0.41) | TDP1NAPRTALDH1A1HDAC3HDAC4 | |
| SCHEMBL4634043 | 0.82 | TDP1 (0.42) | KDM4ETDP1NAPRTALDH1A1HDAC3 | |
| SCHEMBL18989973 | 0.81 | ESR1 (0.39) | ESR1TSHRHIF1ANAPRTALDH1A1 | |
| SCHEMBL4945110 | 0.79 | KDM4E (0.44) | KDM4ECYP3A4TDP1ALOX12ABCB11 | |
| SCHEMBL28806916 | 0.79 | KDM4E (0.44) | KDM4ECYP3A4TDP1ALOX12ABCB11 | |
| SCHEMBL10881331 | 0.79 | KDM4E (0.51) | KDM4ECYP3A4TDP1ALOX12ABCB11 | |
| SCHEMBL4945566 | 0.78 | KDM4E (0.54) | KDM4ECYP3A4TDP1ALOX12ABCB11 | |
| SCHEMBL1291161 | 0.78 | L3MBTL1 (0.43) | KDM4ECYP3A4TDP1ALOX12ABCB11 | |
| SCHEMBL28042298 | 0.78 | LMNA (0.38) | KDM4ECYP3A4TDP1ALOX12ABCB11 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103153997-B | Quinazoline derivatives | MERCK PATENT GMBH | 2015-04-29 | — | — | CN | disclosed |
| CN-104395297-A | Sulfonamide derivatives and pharmaceutical use thereof | AJINOMOTO KK | 2015-03-04 | — | — | CN | disclosed |
| CN-103153997-A | Quinazoline derivatives | MERCK PATENT GMBH | 2013-06-12 | — | — | CN | disclosed |
| CN-102099351-A | 3-heterocyclic substituted indole derivatives and methods of use thereof | SCHERING CORP | 2011-06-15 | — | — | CN | disclosed |
| CN-101460490-A | Substituted ring fused azines and their use in cancer therapy | AUCKLAND UNISERVICES LTD (NZ) | 2009-06-17 | — | — | CN | disclosed |
| CN-1902201-A | Bicyclic pyrimidin-4-(3H)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1 receptor (VR1) | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | disclosed |