Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 6/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9909350 | 0.83 | S1PR1 (0.43) | — | |
| SCHEMBL9275109 | 0.83 | MTNR1A (0.41) | NPC1RAB9ATDP1MTNR1AMTNR1B | |
| SCHEMBL9112568 | 0.81 | NPC1 (0.37) | NPC1RAB9ATDP1MTNR1AMTNR1B | |
| SCHEMBL9909385 | 0.81 | S1PR1 (0.50) | NPC1MTNR1AMTNR1BCASRALDH1A1 | |
| SCHEMBL9112140 | 0.79 | CHRM2 (0.45) | MTNR1AMTNR1BCHRM2CHRM1CHRM3 | |
| SCHEMBL10061463 | 0.76 | S1PR1 (0.51) | — | |
| SCHEMBL9106787 | 0.76 | CCKAR (0.48) | MTNR1AMTNR1BL3MBTL1 | |
| SCHEMBL27993059 | 0.74 | CASR (0.59) | MTNR1AMTNR1BPDE4ACASRTAAR1 | |
| SCHEMBL9111995 | 0.72 | TAAR1 (0.42) | CASRTAAR1ADORA2AADORA1L3MBTL1 | |
| SCHEMBL9111043 | 0.72 | TAAR1 (0.42) | MTNR1AMTNR1BCASRTAAR1ADORA2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | US | disclosed |
| WO-2012074921-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | ALLERGAN, INC. (US) | 2012-06-07 | — | — | 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-20120142640-A1 | ALKYNE AND ALKENE DERIVATIVES AS SPHINGOSINE 1-PHOSPHATE-1 RECEPTOR MODULATORS | S1PR1, S1PR3, S1PR2 | NPC1 358/4885RAB9A 2324/4885TDP1 3163/4885 |
“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.