Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.64 |
| ▸ | GAA | P10253 | 3/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.53 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9723608 | 0.83 | TSHR (0.54) | TSHRGAAKMT2AMEN1HTT | |
| SCHEMBL14439697 | 0.82 | TSHR (0.67) | TSHRGAAKMT2AMEN1HTT | |
| SCHEMBL2991073 | 0.82 | PKM (0.69) | TSHRGAAKMT2AMEN1RCE1 | |
| SCHEMBL9401663 | 0.81 | KDM4E (0.58) | TSHRGAAKMT2AMEN1RCE1 | |
| SCHEMBL11683170 | 0.81 | TSHR (0.65) | TSHRGAAKMT2AMEN1HTT | |
| SCHEMBL10516980 | 0.79 | KMT2A (0.47) | TSHRGAAKMT2AMEN1RCE1 | |
| SCHEMBL3059360 | 0.78 | KDM4E (0.64) | TSHRGAAKMT2AMEN1RCE1 | |
| SCHEMBL9122023 | 0.77 | TSHR (0.58) | TSHRGAAKMT2AMEN1RCE1 | |
| SCHEMBL14987090 | 0.76 | TSHR (0.74) | TSHRGAAKMT2AMEN1HTT | |
| SCHEMBL5363492 | 0.75 | TSHR (0.74) | TSHRGAAKMT2AMEN1HTT |
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 |