Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2835071 | 0.88 | S1PR3 (0.41) | S1PR3TRPA1GABRB1GABRB2CTSS | |
| SCHEMBL2832188 | 0.84 | TRPA1 (0.42) | S1PR3TRPA1GABRB1GABRB2CTSS | |
| SCHEMBL2833970 | 0.84 | S1PR3 (0.48) | S1PR3TRPA1GABRB1GABRB2CTSS | |
| SCHEMBL2832212 | 0.83 | TRPA1 (0.41) | S1PR3TRPA1GABRB1GABRB2CTSS | |
| SCHEMBL2841519 | 0.83 | S1PR3 (0.47) | S1PR3TRPA1CTSSCTSKMDM2 | |
| SCHEMBL2842329 | 0.81 | ALDH1A1 (0.38) | S1PR3TRPA1GABRB1GABRB2ALDH1A1 | |
| SCHEMBL2839359 | 0.77 | S1PR3 (0.44) | S1PR3TRPA1GABRB1GABRB2CTSS | |
| SCHEMBL17630124 | 0.74 | TRPA1 (0.52) | TRPA1CTSSCTSKLMNAALDH1A1 | |
| SCHEMBL17630127 | 0.74 | TRPA1 (0.52) | TRPA1CTSSCTSKLMNAALDH1A1 | |
| SCHEMBL17630006 | 0.74 | TRPA1 (0.39) | TRPA1GABRB1GABRB2CTSSCTSK |
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 2311/4885TRPA1 3113/4885GABRB1 536/4885 |
| US-20100210592-A1 | AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS | GFPT1, CEPT1, SLC18A2 | S1PR3 2311/4885TRPA1 3113/4885GABRB1 536/4885 |
“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.