Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 2/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11015563 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1GAAKMT2ASRD5A2 | |
| SCHEMBL9778275 | 0.82 | MAPT (0.46) | ALDH1A1MEN1GAAKMT2ASRD5A2 | |
| SCHEMBL9681571 | 0.81 | SRD5A2 (0.54) | ALDH1A1MEN1KMT2ASRD5A2SRD5A1 | |
| SCHEMBL11098487 | 0.80 | ALDH1A1 (0.41) | ALDH1A1SRD5A2SRD5A1POLBKDM1A | |
| SCHEMBL10502889 | 0.79 | ALDH1A1 (0.62) | ALDH1A1MEN1GAAKMT2ASRD5A2 | |
| SCHEMBL11013789 | 0.78 | ALDH1A1 (0.46) | ALDH1A1MAPK14MEN1GAAKMT2A | |
| SCHEMBL10502766 | 0.77 | ALDH1A1 (0.51) | ALDH1A1GAASRD5A2SRD5A1POLB | |
| SCHEMBL11010697 | 0.77 | RAD52 (0.42) | AKR1C3ALDH1A1MAPK14MEN1GAA | |
| SCHEMBL11011489 | 0.77 | NPC1 (0.46) | ALDH1A1MEN1GAAKMT2AKDM4C | |
| SCHEMBL10503522 | 0.77 | RXRB (0.38) | ALDH1A1SRD5A2SRD5A1 |
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-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 |