Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NCEH1 | Q6PIU2 | 2/20 | 0.40 |
| ▸ | THRA | P10827 | 3/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL12667500 | 0.96 | THRB (0.50) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL21663478 | 0.90 | CYP1A2 (0.43) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL11954762 | 0.89 | CYP1A2 (0.42) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL803176 | 0.88 | POLB (0.43) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL20998234 | 0.87 | ELANE (0.41) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL19721812 | 0.87 | CYP1A2 (0.40) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL802755 | 0.87 | POLB (0.45) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL10048300 | 0.87 | CYP1A2 (0.43) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL22080409 | 0.86 | CYP1A2 (0.40) | THRBCYP1A2KDM4ENPC1LMNA | |
| SCHEMBL18194828 | 0.85 | NPC1 (0.43) | THRBCYP1A2KDM4ENPC1LMNA |
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-2557140-B1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2016-09-21 | — | — | EP | disclosed |