Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRB1 | P18505 | 1/20 | 0.53 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.53 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | CTSS | P25774 | 2/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4116995 | 0.85 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSACE | |
| SCHEMBL3379781 | 0.85 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSACE | |
| SCHEMBL844407 | 0.85 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSACE | |
| SCHEMBL14250689 | 0.85 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSACE | |
| SCHEMBL3414715 | 0.85 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSACE | |
| SCHEMBL8864145 | 0.84 | CTSK (0.51) | GABRB1GABRB2CTSKCTSSCTSB | |
| SCHEMBL11585053 | 0.83 | GABRB1 (0.56) | GABRB1GABRB2CTSKCTSSCTSB | |
| SCHEMBL7857496 | 0.83 | CTSK (0.48) | CTSKCTSSCTSBACEAPP | |
| SCHEMBL31230469 | 0.83 | GABRB1 (0.56) | GABRB1GABRB2CTSKCTSSCTSB | |
| SCHEMBL9952163 | 0.83 | GABRB1 (0.56) | GABRB1GABRB2CTSKCTSSCTSB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1119328-C | Acylaminoalkenylene-amide derivatives as NK1 and NK2 antagonists | NOVARTIS AG (CH) | 2003-08-27 | — | — | CN | disclosed |
| EP-1077941-A1 | COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES | Novo Nordisk A/S (DK) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058501-A1 | COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES | NOVO NORDISK A/S (DK) | 1999-11-18 | — | — | WO | disclosed |
| CN-1233238-A | Acylaminoalkenylene-amide derivatives as NK1 and NK2 antagonists | NOVARTIS AG (CH) | 1999-10-27 | — | — | CN | disclosed |