Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | NOS2 | P35228 | 1/20 | 0.33 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418144 | 1.00 | CA12 (0.35) | CA12CA14CA1CA2CA7 | |
| SCHEMBL7505723 | 0.84 | CA12 (0.36) | CA12CA14CA1CA2CA7 | |
| SCHEMBL5605327 | 0.81 | CA14 (0.42) | CA14SMN1; SMN2TSHRMAPT | |
| SCHEMBL30998824 | 0.81 | CA14 (0.42) | CA14SMN1; SMN2TSHRMAPT | |
| SCHEMBL9401730 | 0.78 | BTN3A1 (0.36) | CA12CA14CA1CA2CA7 | |
| SCHEMBL9401927 | 0.78 | BTN3A1 (0.36) | CA12CA14CA1CA2CA7 | |
| SCHEMBL10445511 | 0.78 | BTN3A1 (0.36) | CA12CA14CA1CA2CA7 | |
| SCHEMBL10456801 | 0.78 | ALDH1A1 (0.44) | SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL7766998 | 0.78 | ALDH1A1 (0.44) | SMN1; SMN2TSHRMAPK1 | |
| SCHEMBL13184669 | 0.78 | SMN1; SMN2 (0.31) | SMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5438118-A | Peptide mimics having constrained peptide backbone | SMITHKLINE BEECHMAN CORP. (US) | 1995-08-01 | — | — | US | disclosed |
| EP-0559793-A4 | — | — | 1994-04-27 | — | — | EP | disclosed |
| EP-0559793-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-09-15 | — | — | EP | disclosed |
| WO-1992009297-A1 | HIV PROTEASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-06-11 | — | — | WO | disclosed |