Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | GALR2 | O43603 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL16529634 | 0.83 | ALDH1A1 (0.55) | TSHRCYP3A4MAPTLMNAALDH1A1 | |
| SCHEMBL29094244 | 0.81 | TSHR (0.49) | TSHRCYP3A4LMNAALDH1A1POLB | |
| SCHEMBL9542582 | 0.79 | TSHR (0.58) | TSHRCYP3A4MAPTLMNAALDH1A1 | |
| SCHEMBL996616 | 0.78 | TSHR (0.56) | TSHRCYP3A4MAPTLMNAALDH1A1 | |
| SCHEMBL15172840 | 0.76 | TSHR (0.58) | TSHRCYP3A4MAPTALDH1A1GPR35 | |
| SCHEMBL148384 | 0.74 | MAPT (0.56) | TSHRCYP3A4MAPTLMNAALDH1A1 | |
| SCHEMBL406111 | 0.74 | TSHR (0.60) | TSHRCYP3A4LMNAALDH1A1GPR35 | |
| SCHEMBL3112702 | 0.74 | TSHR (0.60) | TSHRCYP3A4MAPTALDH1A1POLB | |
| SCHEMBL2721649 | 0.73 | TSHR (0.55) | TSHRCYP3A4MAPTALDH1A1HPGD | |
| SCHEMBL9816570 | 0.73 | TSHR (0.50) | TSHRCYP3A4MAPTALDH1A1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1020603-C | METHOD FOR PREPARATION OF MERCAPTOBENZOATES | ICI AMERICA INC (US) | 1993-05-12 | — | — | CN | disclosed |
| EP-0272742-B1 | METHOD FOR PREPARATION OF MERCAPTOBENZOATES | STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| CN-87107367-A | Preparation method of mercaptobenzoate | — | 1988-12-28 | — | — | CN | disclosed |
| EP-0272742-A1 | Method for preparation of mercaptobenzoates | STAUFFER AGRICULTURAL CHEMICALS COMPANY, INC. (US) | 1988-06-29 | — | — | EP | disclosed |
| US-4692545-A | Method for preparation of mercaptobenzoates | STAUFFER CHEMICAL COMPANY (US) | 1987-09-08 | — | — | US | disclosed |