Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20643587 | 0.97 | CYP1A2 (0.39) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL803176 | 0.88 | POLB (0.43) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL19721812 | 0.87 | CYP1A2 (0.40) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL21663478 | 0.86 | CYP1A2 (0.43) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL18083261 | 0.86 | THRB (0.45) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL19156775 | 0.85 | CYP1A2 (0.39) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL802755 | 0.85 | POLB (0.45) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL10048300 | 0.85 | CYP1A2 (0.43) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL11954762 | 0.85 | CYP1A2 (0.42) | CYP1A2KDM4ENPC1LMNATP53 | |
| SCHEMBL12667500 | 0.85 | THRB (0.50) | CYP1A2KDM4ENPC1LMNATP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663378-A1 | LIQUID CRYSTALLINE MEDIUM | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | disclosed |