Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3415768 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL11176439 | 0.77 | PDK1 (0.35) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL11100765 | 0.74 | CYP1A2 (0.35) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL23831747 | 0.74 | P2RY1 (0.49) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL30105153 | 0.74 | P2RY1 (0.49) | ALDH1A1KMT2AMEN1MAPTNPSR1 | |
| SCHEMBL11046464 | 0.73 | KMT2A (0.43) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL23831996 | 0.72 | CYP3A4 (0.37) | ALDH1A1CYP3A4TSHRHSD17B10RECQL | |
| SCHEMBL23831932 | 0.70 | S1PR2 (0.55) | KMT2AMEN1MAPTNPSR1TRPV1 | |
| SCHEMBL23831866 | 0.70 | TRPV1 (0.45) | KMT2AMEN1MAPTNPSR1TRPV1 | |
| SCHEMBL27077608 | 0.70 | TRPV1 (0.42) | KMT2AMEN1MAPTNPSR1TRPV1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0061082-B1 | PROCESS FOR THE PREPARATION OF 2,3-DIHYDRO-4H-1,4-BENZOTHIAZINES | BAYER AG (DE) | 1984-11-28 | — | — | EP | disclosed |
| US-4393206-A | DEHYDROCYCLIZATION OF 2-(2-HYDROXYALKYL)-THIOANILINES | BAYER AKTIENGESELLSCHAFT (DE) | 1983-07-12 | — | — | US | disclosed |
| EP-0061082-A1 | Process for the preparation of 2,3-dihydro-4H-1,4-benzothiazines | BAYER AG (DE) | 1982-09-29 | — | — | EP | disclosed |