Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ODC1 | P11926 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8911523 | 0.81 | ATM (0.48) | CYP1A2ATMACHEL3MBTL1TDP1 | |
| SCHEMBL9183859 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP1A1CYP1B1HDAC4HDAC8 | |
| SCHEMBL9275613 | 0.78 | CYP1A1 (0.43) | CYP1A2CYP1A1CYP1B1ATMACHE | |
| SCHEMBL9183864 | 0.78 | ALDH1A1 (0.48) | CYP1A2CYP1A1CYP1B1ATMACHE | |
| SCHEMBL8910138 | 0.73 | AOC3 (0.45) | HDAC4HDAC8TDP1KMT2AKDM4E | |
| SCHEMBL734007 | 0.73 | ALDH1A1 (0.43) | ACHEL3MBTL1KMT2ANPSR1GAA | |
| SCHEMBL6486060 | 0.70 | CA1 (0.50) | ACHEL3MBTL1TDP1CA1CA2 | |
| SCHEMBL910620 | 0.70 | ACHE (0.50) | CYP1A2ACHEL3MBTL1TDP1CA1 | |
| SCHEMBL31326058 | 0.69 | IDO1 (0.44) | ATMKMT2ANPSR1GAANFE2L2 | |
| SCHEMBL9186553 | 0.69 | P4HB (0.44) | CYP1A2ACHEKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5405843-A | Anticancer drug potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-04-11 | — | — | US | disclosed |
| EP-0363212-B1 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS (JP) | 1995-01-04 | — | — | EP | disclosed |
| US-5204348-A | Quinoline derivatives | MITSUI TOATSU CHEMICALS INC. (JP) | 1993-04-20 | — | — | US | disclosed |
| US-5112817-A | Anticancer Drug Potentiators | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1992-05-12 | — | — | US | disclosed |
| EP-0363212-A2 | Novel heterocyclic compounds and anticancer-drug reinforcing agents containing them as effective components | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-04-11 | — | — | EP | disclosed |