Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | TUBB4A | P04350 | 7/20 | 0.48 |
| ▸ | TUBB | P07437 | 7/20 | 0.48 |
| ▸ | TUBA3C | P0DPH7 | 7/20 | 0.48 |
| ▸ | TUBA1B | P68363 | 7/20 | 0.48 |
| ▸ | TUBA4A | P68366 | 7/20 | 0.48 |
| ▸ | TUBB4B | P68371 | 7/20 | 0.48 |
| ▸ | TUBB3 | Q13509 | 7/20 | 0.48 |
| ▸ | TUBB2A | Q13885 | 7/20 | 0.48 |
| ▸ | TUBB8 | Q3ZCM7 | 7/20 | 0.48 |
| ▸ | TUBA3E | Q6PEY2 | 7/20 | 0.48 |
| ▸ | TUBA1A | Q71U36 | 7/20 | 0.48 |
| ▸ | TUBA1C | Q9BQE3 | 7/20 | 0.48 |
| ▸ | TUBB6 | Q9BUF5 | 7/20 | 0.48 |
| ▸ | TUBB2B | Q9BVA1 | 7/20 | 0.48 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | GALR3 | O60755 | 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 | |
|---|---|---|---|---|
| SCHEMBL8530817 | 0.89 | EGFR (0.46) | MAPTALDH1A1 | |
| SCHEMBL8529682 | 0.86 | AKR1B1 (0.46) | CYP3A4TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL6338880 | 0.85 | TUBB4A (0.60) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8530355 | 0.83 | CA2 (0.48) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9089503 | 0.76 | TUBB4A (0.71) | PTGS2CYP3A4MAPTTUBB4ATUBB | |
| SCHEMBL4542980 | 0.75 | LTA4H (0.50) | CYP3A4ALDH1A1TSHRRAB9ACA9 | |
| SCHEMBL9475495 | 0.75 | APP (0.70) | MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL10126440 | 0.74 | ABL1 (0.43) | PTGS2CYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL14139160 | 0.74 | TUBB4A (0.40) | PTGS2TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL10614759 | 0.73 | PTGS2 (0.61) | PTGS2CYP3A4MAPTTUBB4ATUBB |
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 |
|---|---|---|---|---|---|---|---|
| US-5840991-A | 3,4,5-TRIHYDROXYBENZYL-4-HYDROXYPHENYL THIOETHER | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 1998-11-24 | — | — | US | claimed |
| US-7410998-B2 | Inhibitors of NADH:ubiquinone oxidoreductase | THE SCRIPPS RESEARCH INSTITUTE (US) | 2008-08-12 | — | — | US | disclosed |
| US-5840991-A | 3,4,5-TRIHYDROXYBENZYL-4-HYDROXYPHENYL THIOETHER | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 1998-11-24 | — | — | US | disclosed |