Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | IKBKB | O14920 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 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 | |
|---|---|---|---|---|
| SCHEMBL873953 | 0.95 | KDM4E (0.53) | KDM4EIKBKBLMNAHTTMEN1 | |
| SCHEMBL20866199 | 0.91 | KDM4E (0.39) | KDM4EIKBKBLMNAHTTMEN1 | |
| SCHEMBL263684 | 0.87 | KDM4E (0.45) | KDM4EIKBKBMEN1MAPTKMT2A | |
| SCHEMBL5052320 | 0.87 | CYP3A4 (0.46) | KDM4EIKBKBLMNAHTTCYP3A4 | |
| SCHEMBL3470108 | 0.85 | KDM4E (0.65) | KDM4EHTTMAPTKMT2AHDAC3 | |
| SCHEMBL2330272 | 0.83 | KDM4E (0.53) | KDM4EMEN1MAPTKMT2A | |
| SCHEMBL6096678 | 0.83 | KDM4E (0.53) | KDM4ELMNAHTTCYP3A4MAPT | |
| SCHEMBL29597889 | 0.83 | KDM4E (0.53) | KDM4EMEN1MAPTKMT2A | |
| SCHEMBL4770365 | 0.83 | KDM4E (0.53) | KDM4ELMNAHTTCYP3A4MAPT | |
| SCHEMBL19405222 | 0.81 | KDM4E (0.51) | KDM4ELMNAMEN1NR1I2CHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104945332-A | Preparation method of erlotinib | GUANGZHOU INST BIOMED & HEALTH | 2015-09-30 | — | — | CN | claimed |
| CN-104945332-A | Preparation method of erlotinib | GUANGZHOU INST BIOMED & HEALTH | 2015-09-30 | — | — | CN | disclosed |
| CN-104945332-A | Preparation method of erlotinib | GUANGZHOU INST BIOMED & HEALTH | 2015-09-30 | — | — | CN | disclosed |
| WO-2014128206-A1 | COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-28 | — | — | WO | disclosed |
| WO-2014128206-A1 | COMPOUNDS FOR USE IN INHIBITING HIV CAPSID ASSEMBLY | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-28 | — | — | WO | disclosed |
| EP-2769723-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |
| EP-2769723-A1 | Compounds for use in inhibiting HIV capsid assembly | Ruprecht-Karls-Universität Heidelberg (DE) | 2014-08-27 | — | — | EP | disclosed |