Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHKA | P35790 | 4/20 | 0.41 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL368538 | 0.98 | CHKA (0.40) | TP53CHKACALM1ALDH1A1LMNA | |
| SCHEMBL6549159 | 0.90 | TP53 (0.46) | TP53CHKACALM1ALDH1A1LMNA | |
| SCHEMBL5100518 | 0.81 | TP53 (0.39) | TP53CHKACALM1ALDH1A1LMNA | |
| SCHEMBL11155177 | 0.79 | SIGMAR1 (0.44) | TP53CALM1ALDH1A1TSHRSIGMAR1 | |
| SCHEMBL27609076 | 0.76 | ACHE (0.47) | TP53ALDH1A1HTTSIGMAR1 | |
| SCHEMBL348590 | 0.76 | ALDH1A1 (0.39) | TP53ALDH1A1TSHR | |
| SCHEMBL349052 | 0.73 | GBA1 (0.39) | ALDH1A1SMN1; SMN2TSHRTDP1 | |
| SCHEMBL7283642 | 0.72 | CHKA (0.36) | TP53CHKACALM1ALDH1A1LMNA | |
| SCHEMBL368873 | 0.71 | ESR2 (0.38) | TSHRKDM4ETDP1SIGMAR1HSD17B10 | |
| SCHEMBL11347488 | 0.71 | SLC18A3 (0.47) | ALDH1A1LMNAHTTTSHRSIGMAR1 |
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-5051432-A | Heterocyclic 1,4 dihydropyridine derivatives | GLAXO, S.P.A. (IT) | 1991-09-24 | — | — | US | claimed |
| EP-0238211-B1 | Dihydropyridines, process for their preparation and their use as medicaments | GLAXO SPA (IT) | 1994-01-12 | — | — | EP | disclosed |
| US-5051432-A | Heterocyclic 1,4 dihydropyridine derivatives | GLAXO, S.P.A. (IT) | 1991-09-24 | — | — | US | disclosed |
| EP-0238211-A2 | Dihydropyridines, process for their preparation and their use as medicaments | GLAXO S.p.A. (IT) | 1987-09-23 | — | — | EP | disclosed |