Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 7/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | EIF2S1 | P05198 | 1/20 | 0.38 |
| ▸ | EIF2AK3 | Q9NZJ5 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.35 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | KLRK1 | P26718 | 1/20 | 0.34 |
| ▸ | MICA | Q29983 | 1/20 | 0.34 |
| ▸ | RAET1L | Q5VY80 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | CTSA | P10619 | 1/20 | 0.34 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2836835 | 0.90 | S1PR3 (0.41) | S1PR3MDM2ROCK2ROCK1AKR1C3 | |
| SCHEMBL2837542 | 0.85 | S1PR3 (0.43) | S1PR3MDM2S1PR1AAK1KLRK1 | |
| SCHEMBL2834200 | 0.83 | EIF2S1 (0.38) | S1PR3ROCK2ROCK1EIF2S1EIF2AK3 | |
| SCHEMBL2838232 | 0.81 | S1PR3 (0.46) | S1PR3MDM2ROCK2AAK1KLRK1 | |
| SCHEMBL2839096 | 0.79 | S1PR3 (0.42) | S1PR3ROCK2ROCK1AKR1C3AKR1C2 | |
| SCHEMBL2843147 | 0.75 | AKR1C3 (0.41) | S1PR3ROCK2ROCK1AKR1C3AKR1C2 | |
| SCHEMBL2835001 | 0.75 | S1PR3 (0.48) | S1PR3MDM2S1PR1TRPA1S1PR4 | |
| SCHEMBL2834950 | 0.75 | S1PR3 (0.40) | S1PR3AAK1KLRK1MICARAET1L | |
| SCHEMBL2835057 | 0.74 | S1PR3 (0.48) | S1PR3MDM2S1PR1TRPA1S1PR4 | |
| SCHEMBL2836642 | 0.74 | S1PR3 (0.48) | S1PR3MDM2S1PR1TRPA1S1PR4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8367838-B2 | Amines or amino alcohols as GLYT1 inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20120232033-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | KOLCZEWSKI SABINE (DE) | 2012-09-13 | — | — | US | disclosed |
| EP-2398558-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-12-28 | — | — | EP | disclosed |
| WO-2010094659-A1 | AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-08-26 | — | — | WO | disclosed |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | HOFFMANN-LA ROCHE, INC. | 2010-08-19 | — | — | US | 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 (2 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-20120232033-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | GFPT1, CEPT1, SLC18A2 | S1PR3 2311/4885MDM2 4155/4885ROCK2 2900/4885 |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | GFPT1, CEPT1, SLC18A2 | S1PR3 2311/4885MDM2 4155/4885ROCK2 2900/4885 |
“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.