Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 7/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.38 |
| ▸ | EDNRB | P24530 | 1/20 | 0.37 |
| ▸ | EDNRA | P25101 | 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 | |
|---|---|---|---|---|
| SCHEMBL9727737 | 0.76 | ESR1 (0.42) | CALM1MEN1KMT2AESR1ESR2 | |
| SCHEMBL9727632 | 0.75 | DRD2 (0.39) | MEN1KMT2AESR1ESR2 | |
| SCHEMBL14102710 | 0.75 | ESR1 (0.49) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL14102385 | 0.75 | ESR1 (0.49) | ALDH1A1MEN1KMT2AESR1ESR2 | |
| SCHEMBL18435584 | 0.71 | MIF (0.40) | ALDH1A1HPGDKMT2AESR1ESR2 | |
| SCHEMBL13899934 | 0.69 | PTGES (0.46) | CYP3A4ESR1ESR2 | |
| SCHEMBL9132550 | 0.68 | GLA (0.51) | ALDH1A1CYP3A4KMT2ASMN1; SMN2TLR9 | |
| SCHEMBL4953164 | 0.66 | ALDH1A1 (0.51) | ALDH1A1MEN1CYP3A4KMT2AATM | |
| SCHEMBL14534500 | 0.64 | PTGES (0.46) | MEN1KMT2AESR1ESR2 | |
| SCHEMBL15033096 | 0.64 | ESR1 (0.42) | CYP3A4ESR1ESR2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091533-A | Treating allergies, cardiovascular disorders, inflammation | MERCK FROSST CANADA, INC. (CA) | 1992-02-25 | — | — | US | disclosed |
| EP-0447189-A1 | 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors | MERCK FROSST CANADA INC. (CA) | 1991-09-18 | — | — | EP | disclosed |