Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL228862 | 0.82 | CYP1A2 (0.47) | CYP1A2HTTCYP2D6TLR8NPSR1 | |
| SCHEMBL12930508 | 0.66 | HTT (0.57) | CYP1A2HTTCYP2D6NPSR1LMNA | |
| SCHEMBL230441 | 0.64 | HTT (0.62) | CYP1A2HTTCYP2D6NPSR1LMNA | |
| SCHEMBL9697100 | 0.61 | HTT (0.48) | CYP1A2HTTCYP2D6NPSR1LMNA | |
| SCHEMBL6142135 | 0.61 | MEN1 (0.66) | TLR8LMNAPKMGLAKDM4E | |
| SCHEMBL230641 | 0.60 | ALDH1A1 (0.70) | CYP1A2HTTCYP2D6NPSR1LMNA | |
| SCHEMBL10325213 | 0.60 | MEN1 (0.64) | TLR8LMNAPKMGLAKDM4E | |
| SCHEMBL19529567 | 0.60 | TLR8 (0.48) | CYP1A2HTTCYP2D6TLR8NPSR1 | |
| SCHEMBL230862 | 0.60 | ALDH1A1 (0.51) | CYP1A2HTTCYP2D6NPSR1LMNA | |
| SCHEMBL981293 | 0.59 | KDM4E (0.67) | CYP1A2HTTCYP2D6NPSR1LMNA |
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-2082005-A1 | LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS | Pleotint, L.L.C. (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008028128-A1 | LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS | PLEOTINT, L.L.C. (US) | 2008-03-06 | — | — | WO | disclosed |