Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.80 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.80 |
| ▸ | RAB9A | P51151 | 9/20 | 0.64 |
| ▸ | NPC1 | O15118 | 6/20 | 0.64 |
| ▸ | HPGD | P15428 | 4/20 | 0.64 |
| ▸ | MEN1 | O00255 | 2/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.45 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28747903 | 1.00 | TSHR (0.80) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL3866711 | 0.78 | GAA (0.54) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL6201220 | 0.78 | GAA (0.54) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL6201226 | 0.78 | GAA (0.54) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL3858877 | 0.78 | GAA (0.54) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL12181229 | 0.78 | RAB9A (1.00) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL3456092 | 0.78 | RAB9A (1.00) | TSHRHSD17B10RAB9ANPC1HPGD | |
| SCHEMBL6384239 | 0.77 | CYP3A4 (0.52) | TSHRHSD17B10RAB9AHPGDMEN1 | |
| SCHEMBL6384233 | 0.77 | CYP3A4 (0.52) | TSHRHSD17B10RAB9AHPGDMEN1 | |
| SCHEMBL6384237 | 0.77 | CYP3A4 (0.52) | TSHRHSD17B10RAB9AHPGDMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1324006-C | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2007-07-04 | — | — | CN | disclosed |
| CN-1436168-A | Beta-amino acid nitrile derivs. | HOFFMANN LA ROCHE (CH) | 2003-08-13 | — | — | CN | disclosed |