Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 2/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.45 |
| ▸ | TNKS | O95271 | 1/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MIF | P14174 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 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 | |
|---|---|---|---|---|
| SCHEMBL8530817 | 0.94 | EGFR (0.46) | AKR1B1EGFRERBB2TNKS2MAOB | |
| SCHEMBL8529307 | 0.86 | PTGS2 (0.50) | TSHRLMNACYP3A4TUBB4ATUBB | |
| SCHEMBL8534375 | 0.85 | MIF (0.47) | TAAR1MIFMEN1KMT2ADAO | |
| SCHEMBL29079535 | 0.77 | AKR1B1 (0.70) | AKR1B1ADRB2TSHRTAAR1MAPK1 | |
| SCHEMBL10062369 | 0.74 | PTGS2 (0.59) | AKR1B1TNKSTNKS2ADRB2TSHR | |
| SCHEMBL4542980 | 0.74 | LTA4H (0.50) | TSHRMAOBCYP3A4MIFMEN1 | |
| SCHEMBL9475495 | 0.73 | APP (0.70) | MAOBAPPDAO | |
| SCHEMBL10126440 | 0.73 | ABL1 (0.43) | EGFRERBB2MAPK1MAOBCYP3A4 | |
| SCHEMBL27183234 | 0.72 | GAA (0.54) | TSHRLMNACYP1A2CYP3A4NFKB1 | |
| SCHEMBL3241580 | 0.71 | MEN1 (0.50) | TAAR1LMNAMAOBMIFMEN1 |
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 2 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-5840991-A | 3,4,5-TRIHYDROXYBENZYL-4-HYDROXYPHENYL THIOETHER | DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) | 1998-11-24 | — | — | US | disclosed |