Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | 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 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | PLOD2 | O00469 | 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 | |
|---|---|---|---|---|
| SCHEMBL1151269 | 0.79 | TDP1 (0.46) | NAPRTKDM4EKMT2ACYP3A4CYP2C19 | |
| SCHEMBL6503060 | 0.79 | NAPRT (0.52) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 | |
| SCHEMBL27810441 | 0.79 | NAPRT (0.52) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 | |
| SCHEMBL2406860 | 0.78 | F7 (0.55) | KDM4EKMT2ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10633825 | 0.76 | ALDH1A1 (0.47) | KMT2ALMNAALDH1A1HTTMEN1 | |
| SCHEMBL8681273 | 0.76 | CES2 (0.46) | KMT2ACYP1A2LMNAALDH1A1MEN1 | |
| SCHEMBL14855163 | 0.76 | KDM4E (0.53) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 | |
| SCHEMBL25442819 | 0.75 | NAPRT (0.48) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 | |
| SCHEMBL11590778 | 0.75 | KDM4E (0.56) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 | |
| SCHEMBL2988329 | 0.75 | NAPRT (0.48) | NAPRTKDM4EKMT2ACYP1A2CYP3A4 |
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 |