Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.71 |
| ▸ | HPGD | P15428 | 1/20 | 0.71 |
| ▸ | HTT | P42858 | 1/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.71 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28847201 | 1.00 | ALDH1A1 (0.71) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL7686524 | 0.98 | ALDH1A1 (0.74) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL4161467 | 0.92 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL7656765 | 0.92 | ALDH1A1 (0.83) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL21828406 | 0.92 | ALDH1A1 (0.83) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL13305834 | 0.92 | ALDH1A1 (0.83) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL8372730 | 0.90 | ALDH1A1 (0.87) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL1888128 | 0.89 | ALDH1A1 (0.77) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| Methylene Chloride SCHEMBL28286033 | 0.86 | ALDH1A1 (0.62) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 | |
| SCHEMBL5805320 | 0.86 | ALDH1A1 (0.87) | ALDH1A1HPGDHTTSMN1; SMN2PTGDR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109836378-B | Sphingomyelin synthase inhibitor, preparation method and application thereof | 上海华汇拓医药科技有限公司 | 2022-09-30 | — | — | CN | disclosed |
| US-5314887-A | Cardiovascular disorders | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-05-24 | — | — | US | disclosed |
| US-5166148-A | Treatment of congestive heart failure | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-11-24 | — | — | US | disclosed |
| WO-1992000741-A1 | 2-AMINO-1,4-DIHYDROPYRIDINE DERIVATIVES WITH CALCIUM AGONIST AND ALPHA1-ANTAGONIST ACTIVITY | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-01-23 | — | — | WO | disclosed |