Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ERCC5 | P28715 | 2/20 | 0.50 |
| ▸ | FEN1 | P39748 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28419366 | 0.82 | CLCN2 (0.41) | ALDH1A1ERCC5FEN1CES2CES1 | |
| SCHEMBL30931566 | 0.79 | ALDH1A1 (0.57) | ALDH1A1ERCC5FEN1TP53CES2 | |
| SCHEMBL4624841 | 0.78 | NR4A1 (0.53) | ALDH1A1TP53HPGDPOLBSMN1; SMN2 | |
| SCHEMBL7174103 | 0.77 | CES2 (0.50) | CES2CES1SMN1; SMN2ESR1 | |
| SCHEMBL349595 | 0.77 | CES2 (0.50) | CES2CES1SMN1; SMN2ESR1 | |
| SCHEMBL5279624 | 0.77 | CES2 (0.50) | CES2CES1SMN1; SMN2ESR1 | |
| SCHEMBL2837238 | 0.75 | ERCC5 (0.58) | ALDH1A1ERCC5FEN1TP53CES2 | |
| Water SCHEMBL7994046 | 0.73 | ERCC5 (0.56) | ALDH1A1ERCC5FEN1TP53CES2 | |
| Hydrochloric Acid SCHEMBL30461901 | 0.73 | ERCC5 (0.56) | ALDH1A1ERCC5FEN1TP53CES2 | |
| Acetic Acid SCHEMBL9331813 | 0.72 | ALDH1A1 (0.86) | ALDH1A1ERCC5FEN1TP53CES2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1041980-B1 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2005-02-23 | — | — | EP | disclosed |
| EP-1041980-A4 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL MYERS SQUIBB CO (US) | 2002-03-20 | — | — | EP | disclosed |
| EP-1041980-A1 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-10-11 | — | — | EP | disclosed |
| US-6011059-A | PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-01-04 | — | — | US | disclosed |
| WO-1999033460-A1 | ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-07-08 | — | — | WO | disclosed |