Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 6/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.44 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14758321 | 0.87 | ESR1 (0.49) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL2527607 | 0.86 | CA12 (0.47) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL18089444 | 0.86 | ESR1 (0.48) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL18089438 | 0.86 | TSHR (0.46) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL9509719 | 0.79 | LMNA (0.48) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL18089759 | 0.77 | TSHR (0.54) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL1563063 | 0.77 | ATR (0.44) | TSHRL3MBTL1TDP1LMNAMAPK1 | |
| SCHEMBL11839195 | 0.77 | TSHR (0.61) | TSHRL3MBTL1TDP1ESR1LMNA | |
| SCHEMBL30609724 | 0.75 | L3MBTL1 (0.64) | TSHRL3MBTL1TDP1LMNACYP1A2 | |
| SCHEMBL19346812 | 0.75 | TSHR (0.51) | TSHRL3MBTL1TDP1ESR1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101052625-A | As P2X7Adamantyl derivatives of receptor antagonists | ASTRAZENECA AB (SE) | 2007-10-10 | — | — | CN | disclosed |