Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.34 |
| ▸ | RELA | Q04206 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL11512100 | 0.76 | KMT2A (0.44) | KMT2AALDH1A1MEN1LMNACYP1A2 | |
| SCHEMBL11460781 | 0.66 | MEN1 (0.46) | KMT2AMEN1LMNACYP1A2CYP2C9 | |
| SCHEMBL16594179 | 0.62 | KMT2A (0.61) | KMT2AALDH1A1LMNACYP2C19MAPT | |
| SCHEMBL11452722 | 0.62 | MAPT (0.43) | KMT2AALDH1A1MEN1LMNACYP1A2 | |
| SCHEMBL11452829 | 0.61 | GPR139 (0.39) | ALDH1A1LMNAMAPTPOLBHPGD | |
| SCHEMBL5240749 | 0.61 | KMT2A (1.00) | KMT2AALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL11509278 | 0.60 | GPR139 (0.36) | KMT2AMAPT | |
| SCHEMBL10001382 | 0.59 | KMT2A (0.60) | KMT2AALDH1A1LMNACYP1A2CYP2C9 | |
| SCHEMBL29936263 | 0.59 | KMT2A (0.60) | KMT2AALDH1A1LMNACYP1A2CYP2C9 | |
| Ethyl Nicotinate SCHEMBL30545166 | 0.59 | L3MBTL1 (0.62) | KMT2AALDH1A1MEN1LMNACYP1A2 |
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-4207325-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE AND ANTITHROMBOTIC PROPERTIES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-06-10 | — | — | US | disclosed |
| US-4113872-A | DIURETICS, SALURETICS, ANTIHYPERTENSIVE, ANTITHROMBOTIC AGENTS | BAKER AKTIENGESELLSHAFT (DE) | 1978-09-12 | — | — | US | disclosed |
| US-4112109-A | DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-05 | — | — | US | disclosed |