Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.39 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | XIAP | P98170 | 1/20 | 0.37 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.37 |
| ▸ | BCAT2 | O15382 | 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 | |
|---|---|---|---|---|
| SCHEMBL7317301 | 0.84 | KIF11 (0.50) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1913648 | 0.84 | KIF11 (0.50) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13964463 | 0.81 | SLC6A3 (0.50) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7301436 | 0.78 | KIF11 (0.51) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL7301431 | 0.76 | KIF11 (0.50) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8075228 | 0.74 | KIF11 (0.58) | SLC6A3ACEKIF11ALPIPKM | |
| SCHEMBL8074690 | 0.73 | KIF11 (0.63) | KIF11 | |
| SCHEMBL8064895 | 0.72 | GRM8 (0.49) | — | |
| SCHEMBL8072634 | 0.71 | KIF11 (0.44) | SLC6A3GRM2GRM3ACEKIF11 | |
| SCHEMBL4054068 | 0.69 | CYP2D6 (0.48) | SLC6A3CYP1A2CYP3A4CYP2D6CYP2C9 |
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-0934260-A1 | N ALPHA-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS | Hyundai Pharm. Ind. Co., Ltd. (KR) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998017638-A1 | Nα-2-(4-NITROPHENYLSULFONYL)ETHOXYCARBONYL-AMINO ACIDS | HYUNDAI PHARM. IND. CO., LTD. (KR) | 1998-04-30 | — | — | WO | disclosed |