Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | PLOD2 | O00469 | 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 | |
|---|---|---|---|---|
| SCHEMBL11321962 | 0.87 | HPGD (0.40) | KMT2ACYP1A2CYP3A4MLYCDLMNA | |
| SCHEMBL7554228 | 0.86 | KMT2A (0.42) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7550214 | 0.83 | HDAC3 (0.44) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1415951 | 0.83 | KDM4E (0.49) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6503060 | 0.82 | NAPRT (0.52) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4004765 | 0.82 | NAAA (0.47) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7584545 | 0.82 | KDM4E (0.44) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL3704349 | 0.81 | ALDH1A1 (0.49) | CYP3A4CYP2C19ALDH1A1HDAC1HPGD | |
| SCHEMBL2988329 | 0.79 | NAPRT (0.48) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4002805 | 0.78 | NOS1 (0.41) | KMT2AKDM4ECYP1A2CYP3A4CYP2D6 |
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-2002043668-A2 | ANTIMYCOBACTERIAL COMPOUNDS AND METHOD FOR MAKING THE SAME | WELLESLEY COLLEGE (US) | 2002-06-06 | — | — | WO | disclosed |