Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | CRHBP | P24387 | 1/20 | 0.42 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | S100A4 | P26447 | 1/20 | 0.40 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.40 |
| ▸ | HNF4A | P41235 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.37 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17060428 | 1.00 | TSHR (0.55) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL28804512 | 0.79 | TSHR (0.59) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL1287816 | 0.79 | WDR5 (0.59) | TSHRCYP3A4NCEH1ALDH1A1S100A4 | |
| SCHEMBL1287810 | 0.76 | NCEH1 (0.57) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL26054329 | 0.76 | TSHR (0.55) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL1595061 | 0.75 | NCEH1 (0.56) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| Acetic Acid SCHEMBL8609982 | 0.74 | TSHR (0.57) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL767775 | 0.72 | TSHR (0.62) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL2026504 | 0.72 | TSHR (0.62) | TSHRCYP3A4NCEH1HSP90AA1CRHBP | |
| SCHEMBL1710125 | 0.72 | TSHR (1.00) | TSHRCYP3A4NCEH1HSP90AA1CRHBP |
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-2915812-A1 | Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators | Merck Sharp & Dohme Corp. (US) | 2015-09-09 | — | — | EP | disclosed |