Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 7/20 | 0.44 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | DPP4 | P27487 | 2/20 | 0.41 |
| ▸ | FAP | Q12884 | 2/20 | 0.41 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.41 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6466438 | 1.00 | KIF11 (0.44) | KIF11KLKB1ALDH1A1DPP4FAP | |
| SCHEMBL42647 | 0.80 | NOS3 (0.56) | ALDH1A1DPP4FAPDPP8DPP9 | |
| SCHEMBL42646 | 0.80 | NOS3 (0.56) | ALDH1A1DPP4FAPDPP8DPP9 | |
| SCHEMBL2030783 | 0.80 | NOS3 (0.56) | ALDH1A1DPP4FAPDPP8DPP9 | |
| SCHEMBL29429685 | 0.80 | NOS3 (0.56) | ALDH1A1DPP4FAPDPP8DPP9 | |
| Hydrochloric Acid SCHEMBL25215525 | 0.79 | NOS3 (0.55) | ALDH1A1DPP4FAPDPP8DPP9 | |
| SCHEMBL11862665 | 0.78 | KIF11 (0.51) | KIF11KLKB1ALDH1A1 | |
| SCHEMBL10858055 | 0.78 | KIF11 (0.51) | KIF11KLKB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL7300113 | 0.78 | SMN1; SMN2 (0.50) | KIF11KLKB1ALDH1A1SMN1; SMN2 | |
| SCHEMBL11862677 | 0.78 | KIF11 (0.51) | KIF11KLKB1ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |
| US-20030232864-A1 | Novel Compounds and compositions as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2003-12-18 | — | — | US | disclosed |
| US-6576630-B1 | Alkanoyl substituted benzooxazoles or naphthooxazoles | AXYS PHARMACEUTICALS, INC. | 2003-06-10 | — | — | US | disclosed |
| EP-1161422-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000055144-A1 | AMINE DERIVATIVES AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030232864-A1 | Novel Compounds and compositions as protease inhibitors | SERPINB1, CTRL, CTSZ | KIF11 4593/4885KLKB1 535/4885ALDH1A1 3027/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.