Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | POLB | P06746 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7385489 | 0.86 | KMT2A (0.58) | SMN1; SMN2MEN1KMT2ANPSR1NPC1 | |
| SCHEMBL1578826 | 0.80 | ALDH1A1 (0.78) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7226854 | 0.79 | ALDH1A1 (0.75) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL11480252 | 0.79 | ALDH1A1 (0.81) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL6882525 | 0.79 | ALDH1A1 (0.81) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3160001 | 0.78 | KMT2A (0.58) | ALDH1A1POLBMEN1KMT2ALMNA | |
| SCHEMBL3175249 | 0.77 | HPGD (0.57) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3077817 | 0.77 | SMN1; SMN2 (0.72) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL4914120 | 0.76 | MEN1 (0.54) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A | |
| SCHEMBL3154775 | 0.75 | RAB9A (0.68) | ALDH1A1POLBSMN1; SMN2MEN1KMT2A |
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-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | claimed |
| US-6645939-B1 | Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment | MERCK & CO., INC. | 2003-11-11 | — | — | US | disclosed |
| EP-1034164-A4 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2001-07-11 | — | — | EP | disclosed |
| EP-1034164-A1 | SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (US) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999026921-A1 | SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-06-03 | — | — | WO | disclosed |