Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11760944 | 1.00 | KDM4E (0.45) | KDM4ENPC1GAARAB9ABACE1 | |
| SCHEMBL5408076 | 0.85 | PARP1 (0.49) | KDM4ENPC1GAARAB9ABACE1 | |
| SCHEMBL5501143 | 0.85 | PARP1 (0.49) | KDM4ENPC1GAARAB9ABACE1 | |
| SCHEMBL11550137 | 0.81 | KDM4E (0.48) | KDM4EBACE1PARP1KMT2AALDH1A1 | |
| SCHEMBL16307963 | 0.79 | MMP2 (0.50) | KDM4ENPC1GAARAB9ABACE1 | |
| SCHEMBL9476299 | 0.78 | RAB9A (0.41) | KDM4ENPC1RAB9AKMT2AL3MBTL1 | |
| SCHEMBL9476304 | 0.78 | RAB9A (0.41) | KDM4ENPC1RAB9AKMT2AL3MBTL1 | |
| SCHEMBL7271751 | 0.72 | KDM4E (0.38) | KDM4EGAAKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL6232523 | 0.72 | KDM4E (0.38) | KDM4EGAAKMT2AALDH1A1L3MBTL1 | |
| SCHEMBL6232530 | 0.72 | KDM4E (0.38) | KDM4EGAAKMT2AALDH1A1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4038399-A | 1,4-DIHYDROPYRIDINE CARBOXYLIC ACID ESTERS USEFUL AS CORONARY VESSEL DILATORS AND ANTI-HYPERTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-07-26 | — | — | US | disclosed |
| US-4031104-A | ANTIHYPERTENSIVE AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-06-21 | — | — | US | disclosed |
| US-3996234-A | CORONARY VESSEL DILATORS, HYPOTENSIVES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-12-07 | — | — | US | disclosed |
| US-3974275-A | 1,4-Dihydropyridine carboxylic acid esters useful as coronary vessel dilators and anti-hypertensives | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-10 | — | — | US | disclosed |