Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8690082 | 0.96 | KDM4E (0.37) | ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD | |
| SCHEMBL6600592 | 0.91 | HTR4 (0.38) | ALDH1A1KDM4EMAPK1SMN1; SMN2GAA | |
| SCHEMBL7386673 | 0.84 | HSD17B10 (0.40) | ALDH1A1KDM4EMAPK1HPGDHSD17B10 | |
| SCHEMBL5315483 | 0.82 | KDM4E (0.35) | ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD | |
| SCHEMBL7324275 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD | |
| SCHEMBL7325188 | 0.81 | KDM4E (0.34) | ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD | |
| SCHEMBL8500298 | 0.80 | HTR4 (0.36) | ALDH1A1KDM4EHSD17B10ACHE | |
| SCHEMBL6586553 | 0.79 | KDM4E (0.41) | ALDH1A1KDM4EMAPK1HSD17B10ACHE | |
| SCHEMBL8132698 | 0.78 | MAPK1 (0.36) | ALDH1A1KDM4EMAPK1SMN1; SMN2HPGD | |
| SCHEMBL14810317 | 0.78 | HTR4 (0.48) | ALDH1A1KDM4EGAAACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4924010-A | GASTROINTESTINAL DISORDERS | RORER PHARMACEUTICAL CORPORATION (US) | 1990-05-08 | — | — | US | disclosed |
| US-4859683-A | Certain benzoxepins and their pharmaceutical compositions and methods | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-22 | — | — | US | disclosed |
| US-4857517-A | Quinuclidyl benzoxepins as 5-HT3 antagonists | RORER PHARMACEUTICAL CORPORATION (US) | 1989-08-15 | — | — | US | disclosed |