Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.62 |
| ▸ | ERCC5 | P28715 | 4/20 | 0.60 |
| ▸ | FEN1 | P39748 | 4/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | HAO1 | Q9UJM8 | 3/20 | 0.58 |
| ▸ | CES1 | P23141 | 2/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.55 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11510574 | 0.88 | GSK3B (0.71) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL7208394 | 0.87 | GSK3B (0.65) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL9207986 | 0.85 | CES1 (0.70) | GSK3BTDP1CES1CES2HSD11B1 | |
| SCHEMBL279440 | 0.81 | MAPK1 (0.63) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL6756989 | 0.81 | TSHR (0.63) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL29291733 | 0.81 | MEN1 (0.58) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL1699076 | 0.81 | GSK3B (0.57) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL240086 | 0.80 | GSK3B (0.71) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL27601084 | 0.80 | TSHR (0.61) | GSK3BTDP1CES1CA1CA2 | |
| SCHEMBL18302433 | 0.80 | TP53 (0.65) | ERCC5FEN1PTPN1CES1CES2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |
| WO-2012038905-A1 | THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |