Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 2/20 | 0.39 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 10/20 | 0.36 |
| ▸ | PTGER2 | P43116 | 10/20 | 0.36 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10503522 | 0.75 | RXRB (0.38) | SRD5A2SRD5A1ALDH1A1APEX1RXRA | |
| SCHEMBL9681571 | 0.74 | SRD5A2 (0.54) | SRD5A2SRD5A1ALDH1A1RXRA | |
| SCHEMBL27794501 | 0.68 | SRD5A2 (0.58) | SRD5A2SRD5A1ALDH1A1RXRA | |
| SCHEMBL10502889 | 0.66 | ALDH1A1 (0.62) | SRD5A2SRD5A1ALDH1A1RXRARXRB | |
| SCHEMBL11098487 | 0.65 | ALDH1A1 (0.41) | SRD5A2SRD5A1ALDH1A1RXRARXRB | |
| SCHEMBL27151108 | 0.65 | ALDH1A1 (0.46) | SRD5A2SRD5A1ALDH1A1 | |
| SCHEMBL7825857 | 0.65 | MEN1 (0.49) | ALDH1A1RXRARXRBRXRG | |
| SCHEMBL10784805 | 0.64 | NPSR1 (0.47) | LTB4RPTGER4PTGER2PTGER1PTGER3 | |
| SCHEMBL9778275 | 0.64 | MAPT (0.46) | SRD5A2SRD5A1ALDH1A1 | |
| SCHEMBL11015563 | 0.64 | ALDH1A1 (0.42) | SRD5A2SRD5A1ALDH1A1 |
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-0138533-B1 | 6H-DIBENZ(B,F)THIEPIN COMPOUNDS | MERCK FROSST CANADA INC. (CA) | 1989-04-12 | — | — | EP | disclosed |
| US-4622403-A | ALLERGIC CONDITIONS | MERCK FROSST CANADA, INC. (CA) | 1986-11-11 | — | — | US | disclosed |
| EP-0138533-A2 | 6H-dibenz(b,f)thiepin compounds | MERCK FROSST CANADA INC. (CA) | 1985-04-24 | — | — | EP | disclosed |