Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | LGALS9 | O00182 | 1/20 | 0.32 |
| ▸ | LGALS1 | P09382 | 1/20 | 0.32 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.32 |
| ▸ | LGALS7; LGALS7B | P47929 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7743883 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL7563853 | 0.82 | ALDH1A1 (0.33) | ALDH1A1TSHRKMT2ANPC1MAPT | |
| SCHEMBL8818025 | 0.81 | TSHR (0.37) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL7744297 | 0.80 | LGALS9 (0.35) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL7744294 | 0.80 | LGALS9 (0.35) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL9089667 | 0.77 | TSHR (0.35) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL7638594 | 0.75 | HIF1A (0.37) | ALDH1A1TSHRCES2CES1MAPK1 | |
| SCHEMBL8740420 | 0.75 | CTRB1 (0.36) | ALDH1A1KMT2ANPC1MAPTRAB9A | |
| SCHEMBL31058767 | 0.75 | ALDH1A1 (0.44) | ALDH1A1TSHRCES2MAPK1KMT2A | |
| SCHEMBL9094342 | 0.74 | MDM2 (0.35) | ALDH1A1TSHRKMT2ALMNAHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708781-B1 | A 3 ADENOSINE RECEPTOR AGONISTS | USA (US) | 2001-10-04 | — | — | EP | disclosed |
| US-5773423-A | XANTHINE RIBOSIDES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1998-06-30 | — | — | US | disclosed |
| EP-0708781-A1 | A 3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995002604-A1 | A3 ADENOSINE RECEPTOR AGONISTS | THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1995-01-26 | — | — | WO | disclosed |