Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.32 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1025912 | 0.88 | ALDH1A1 (0.40) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL1025910 | 0.88 | ALDH1A1 (0.40) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL3663157 | 0.83 | ALDH1A1 (0.36) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL10957286 | 0.75 | OPRM1 (0.40) | ALDH1A1ATMMEN1KMT2ALMNA | |
| SCHEMBL28426667 | 0.75 | OPRM1 (0.40) | ALDH1A1ATMMEN1KMT2ALMNA | |
| Hydrochloric Acid SCHEMBL17393359 | 0.73 | OPRM1 (0.39) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL17393362 | 0.73 | OPRM1 (0.39) | ALDH1A1MEN1KMT2APOLBSMN1; SMN2 | |
| SCHEMBL2224543 | 0.73 | — | — | |
| SCHEMBL7483097 | 0.72 | ALDH1A1 (0.42) | ALDH1A1ATMNAAATSHRHPGD | |
| SCHEMBL10039814 | 0.70 | NPSR1 (0.41) | ALDH1A1MEN1KMT2ALMNAPOLB |
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 |