Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | CTRC | Q99895 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | ELAVL1 | Q15717 | 1/20 | 0.33 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 3/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL547118 | 0.79 | KMT2A (0.47) | ALDH1A1KMT2AKDM4EMEN1TDP1 | |
| SCHEMBL30963479 | 0.77 | ALDH1A1 (0.40) | ALDH1A1TSHRKMT2ACES2CES1 | |
| SCHEMBL1355720 | 0.75 | MAPT (0.39) | ALDH1A1KMT2ACES2CES1MAPT | |
| SCHEMBL15132908 | 0.72 | SMN1; SMN2 (0.41) | ALDH1A1KMT2ARAB9APOLBMAPT | |
| SCHEMBL31462930 | 0.69 | ALDH1A1 (0.42) | ALDH1A1KMT2AKDM4EMEN1LMNA | |
| SCHEMBL109405 | 0.67 | — | — | |
| SCHEMBL11274940 | 0.67 | — | — | |
| SCHEMBL6550984 | 0.67 | KMT2A (0.39) | KMT2ARAB9AMAPTKDM4EMEN1 | |
| SCHEMBL4672676 | 0.66 | PTGER1 (0.45) | ALDH1A1KMT2AMEN1LMNATDP1 | |
| SCHEMBL9456795 | 0.65 | — | — |
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-4751306-A | Imide intermediates for the preparation of analgesic and/or antagonist octahydrobenzofuroisoquinolines | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-06-14 | — | — | US | disclosed |
| EP-0009780-B1 | OCTAHYDRO-1H-BENZO(4,5)FURO(3,2-E)ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1982-02-24 | — | — | EP | disclosed |
| US-4260761-A | Intermediates for the preparation of octahydro-1H-benzo[4,5]furo[3,2,-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-04-07 | — | — | US | disclosed |
| US-4243668-A | Octahydro-1H-benzo[4,5]furo[3,2-e]-isoquinoline analgesic and narcotic antagonistic compounds | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1981-01-06 | — | — | US | disclosed |
| EP-0009780-A2 | Octahydro-1H-benzo(4,5)furo(3,2-e)isoquinoline derivatives, process for their preparation and pharmaceutical compositions containing them | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1980-04-16 | — | — | EP | disclosed |