Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL111084 | 0.98 | ALDH1A1 (0.49) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL6806443 | 0.98 | ALDH1A1 (0.49) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL8206338 | 0.98 | ALDH1A1 (0.49) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL112394 | 0.98 | ALDH1A1 (0.49) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3407515 | 0.96 | ALDH1A1 (0.48) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL1399903 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL2333440 | 0.90 | CALM1 (0.46) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| Diphenylmethane SCHEMBL11047435 | 0.85 | ALDH1A1 (0.55) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| Cyclohexane SCHEMBL21494734 | 0.84 | ALDH1A1 (0.40) | ALDH1A1HPGDEPHX1MEN1KMT2A | |
| SCHEMBL23090397 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HPGDEPHX1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-112789035-B | Benzocycloheptene analogues and related compounds having activity as anticancer agents | 贝勒大学 | 2024-02-09 | — | — | CN | disclosed |
| CN-112789035-A | Benzocycloheptene analogs and related compounds having activity as anticancer agents | 贝勒大学 | 2021-05-11 | — | — | CN | disclosed |