Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.48 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PTPRC | P08575 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28876322 | 0.85 | GPR3 (0.41) | GPR3MEN1KMT2ANOX1LMNA | |
| SCHEMBL11748728 | 0.79 | GPR3 (0.39) | GPR3MEN1KMT2ANOX1LMNA | |
| SCHEMBL9680923 | 0.79 | GPR3 (0.36) | GPR3MEN1KMT2ANOX1KDM4E | |
| SCHEMBL3280918 | 0.78 | GPR3 (0.71) | GPR3MEN1KMT2ANOX1RXFP1 | |
| SCHEMBL88079 | 0.78 | — | — | |
| SCHEMBL30951022 | 0.78 | GPR3 (0.71) | GPR3MEN1KMT2ANOX1RXFP1 | |
| SCHEMBL2920125 | 0.78 | CHEK1 (0.56) | GPR3MEN1KMT2ANOX1RXFP1 | |
| SCHEMBL9680859 | 0.78 | CHEK1 (0.56) | MEN1KMT2AKDM4EPOLBPTPRC | |
| SCHEMBL11005895 | 0.78 | CA12 (0.40) | GPR3MEN1KMT2ANOX1MAPT | |
| Water SCHEMBL19583248 | 0.76 | GPR3 (0.67) | GPR3MEN1KMT2ANOX1RXFP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4535171-A | Dibenzo[b,f]thiepin-3-carboxaldehydes as prostaglandin antagonists | MERCK FROSST CANADA, INC. (CA) | 1985-08-13 | — | — | US | disclosed |
| EP-0138532-A2 | 3-Substituted dibenzo [b,f] thiepins, compositions containing them and their use as prostaglandin antagonists | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |
| EP-0029587-B1 | 3-HYDROXYMETHYLDIBENZO(B,F)THIEPINS AND DIBENZO(B,F)THIEPIN-3-CARBOXALDEHYDES AS PROSTAGLANDIN ANTAGONISTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1984-06-13 | — | — | EP | disclosed |
| EP-0029587-A1 | 3-Hydroxymethyldibenzo(b,f)thiepins and dibenzo(b,f)thiepin-3-carboxaldehydes as prostaglandin antagonists, process for their preparation and pharmaceutical compositions | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1981-06-03 | — | — | EP | disclosed |
| US-4237160-A | 3-Hydroxymethyldibenzo[b,f]thiepins as prostaglandin antagonists | MERCK SHARP & DOHME (I.A.) CORP. (US) | 1980-12-02 | — | — | US | disclosed |