Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SI | P14410 | 1/20 | 0.39 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.36 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL8912811 | 0.87 | MGAM (0.50) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL11852921 | 0.87 | — | — | |
| SCHEMBL2373233 | 0.87 | MGAM (0.50) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL3966571 | 0.87 | MGAM (0.50) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL13296281 | 0.85 | GSK3A (0.42) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL5153472 | 0.84 | GSK3A (0.41) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL1127888 | 0.83 | ALDH1A1 (0.45) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL21383465 | 0.83 | HRH2 (0.41) | ALDH1A1GSK3BGSK3APOLB | |
| SCHEMBL4469979 | 0.82 | ALOX15 (0.46) | ALDH1A1TRPA1GSK3BGSK3AMGAM | |
| SCHEMBL13612616 | 0.82 | HRH2 (0.40) | GSK3BGSK3AMGAMGAASI |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1189612-A4 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI SEIYAKU CO (JP) | 2005-02-16 | — | — | EP | disclosed |
| EP-1189612-A1 | VLA-4 INHIBITOR COMPOUNDS | Daiichi Pharmaceutical Co., Ltd. (JP) | 2002-03-27 | — | — | EP | disclosed |
| WO-2001000206-A1 | VLA-4 INHIBITOR COMPOUNDS | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2001-01-04 | — | — | WO | disclosed |