Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | FASN | P49327 | 1/20 | 0.38 |
| ▸ | F7 | P08709 | 2/20 | 0.36 |
| ▸ | F3 | P13726 | 2/20 | 0.36 |
| ▸ | TOP1 | P11387 | 3/20 | 0.35 |
| ▸ | FAAH | O00519 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28640772 | 0.88 | TSHR (0.48) | TSHRALDH1A1FASNF7F3 | |
| SCHEMBL10342312 | 0.83 | F7 (0.48) | F7F3TOP1FAAHTERT | |
| SCHEMBL10342310 | 0.83 | F7 (0.48) | F7F3TOP1FAAHTERT | |
| SCHEMBL14038327 | 0.83 | — | — | |
| SCHEMBL50913 | 0.83 | — | — | |
| SCHEMBL50914 | 0.83 | — | — | |
| SCHEMBL21044846 | 0.81 | FASN (0.55) | TSHRALDH1A1FASNF7F3 | |
| SCHEMBL11452465 | 0.80 | F7 (0.52) | F7F3TOP1FAAHTERT | |
| SCHEMBL11452462 | 0.80 | F7 (0.52) | F7F3TOP1FAAHTERT | |
| SCHEMBL11849678 | 0.80 | TSHR (0.44) | TSHRALDH1A1FASNF7F3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1204715-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GmbH (DE) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001012751-A1 | LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 2001-02-22 | — | — | WO | disclosed |