Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.51 |
| ▸ | CHRNG | P07510 | 1/20 | 0.51 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.51 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.51 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.51 |
| ▸ | CHRND | Q07001 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 6/20 | 0.50 |
| ▸ | RAB9A | P51151 | 6/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL741499 | 0.82 | TSHR (0.44) | CES2CES1KMT2AMEN1NPC1 | |
| SCHEMBL9366959 | 0.79 | CES2 (0.62) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL5218170 | 0.78 | CES2 (0.67) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL1164163 | 0.78 | CES2 (0.67) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL7427631 | 0.78 | CES2 (0.67) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL15286432 | 0.78 | CES2 (0.61) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL27729501 | 0.78 | CES2 (0.61) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL27749768 | 0.78 | PARP1 (0.62) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL1434309 | 0.78 | CES2 (0.61) | CES2CES1PARP1KMT2AMEN1 | |
| SCHEMBL15007434 | 0.77 | CES2 (0.65) | CES2CES1PARP1KMT2AMEN1 |
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-0900223-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040050-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-30 | — | — | WO | disclosed |