Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Methylpiperazine SCHEMBL8931176 | 0.88 | PTGS1 (0.35) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8534783 | 0.73 | ALDH1A1 (0.32) | CYP3A4TSHRKDM4EALDH1A1 | |
| Acetic Acid SCHEMBL8411514 | 0.66 | KMT2A (0.42) | KDM4ENPC1ALDH1A1RAB9A | |
| Acetic Acid SCHEMBL19347190 | 0.66 | KMT2A (0.42) | KDM4ENPC1ALDH1A1RAB9A | |
| Bicarbonate SCHEMBL16669170 | 0.66 | POLB (0.43) | KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8532967 | 0.65 | TSHR (0.36) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| SCHEMBL8868305 | 0.64 | PTGS1 (0.30) | PTGS1PTGS2CYP1A2CYP3A4TSHR | |
| Glycine SCHEMBL25427852 | 0.64 | GLRA1 (0.39) | KDM4ENPC1ALDH1A1RAB9A | |
| Propionic Acid SCHEMBL28682017 | 0.64 | MEN1 (0.41) | CYP1A2KDM4ENPC1ALDH1A1RAB9A | |
| SCHEMBL8867430 | 0.63 | CYP3A4 (0.31) | PTGS1PTGS2CYP1A2CYP3A4TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0635009-B1 | NOVEL DERIVATIVES OF 2,3-DIHYDRO-2,2,4,6,7-PENTAALKYL-5-BENZOFURANOLS | MERRELL PHARMA INC (US) | 1997-09-17 | — | — | EP | claimed |