Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL8779604 | 1.00 | AKR1C3 (0.39) | AKR1C3AKR1C2L3MBTL1THRBATM | |
| SCHEMBL2954476 | 0.79 | ACE (0.54) | AKR1C3AKR1C2L3MBTL1THRBATM | |
| SCHEMBL31759201 | 0.79 | ACE (0.54) | AKR1C3AKR1C2L3MBTL1THRBATM | |
| SCHEMBL12849555 | 0.79 | HTR2C (0.56) | L3MBTL1SMN1; SMN2 | |
| SCHEMBL8269698 | 0.77 | CHRM2 (0.44) | THRBSMN1; SMN2CHRM2CHRM1CHRM3 | |
| SCHEMBL625885 | 0.77 | CHRM2 (0.44) | THRBSMN1; SMN2CHRM2CHRM1CHRM3 | |
| SCHEMBL13956844 | 0.77 | CHRM2 (0.44) | THRBSMN1; SMN2CHRM2CHRM1CHRM3 | |
| SCHEMBL6882402 | 0.77 | ALDH1A1 (0.43) | KMT2AALDH1A1TSHRMEN1 | |
| SCHEMBL506564 | 0.75 | ACE (0.40) | L3MBTL1ALDH1A1TSHRACECHRM2 | |
| SCHEMBL20456068 | 0.75 | ACE (0.40) | L3MBTL1ALDH1A1TSHRACECHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1144435-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043413-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |