Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EIF4E | P06730 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.51 |
| ▸ | MYC | P01106 | 3/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.49 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.46 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1712775 | 0.90 | MYC (0.54) | ALDH1A1TP53MYCCA1CA2 | |
| SCHEMBL8387764 | 0.88 | MYC (0.53) | ALDH1A1TP53MCL1MYCCA1 | |
| SCHEMBL11082147 | 0.85 | CYP2C8 (0.54) | ALDH1A1TP53NR4A1HSP90AA1SMN1; SMN2 | |
| SCHEMBL17454062 | 0.85 | PTGER1 (0.55) | ALDH1A1TP53MCL1MYCCA1 | |
| SCHEMBL1775360 | 0.84 | MCL1 (0.53) | EIF4EMCL1MYCFOLH1 | |
| Hydrochloric Acid SCHEMBL9812925 | 0.84 | FOLH1 (0.57) | ALDH1A1TP53CA1CA2NR4A1 | |
| SCHEMBL19514758 | 0.83 | ALDH1A1 (0.71) | ALDH1A1TP53MYCCA1CA2 | |
| SCHEMBL4915994 | 0.83 | TTR (0.51) | EIF4EALDH1A1MCL1MYCKMT2A | |
| SCHEMBL9534481 | 0.81 | MYC (0.60) | ALDH1A1MCL1MYCTSHRKDM4E | |
| SCHEMBL30755384 | 0.81 | MYC (0.71) | ALDH1A1MCL1MYCFTOTSHR |
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-4434100-A | TRANQUILIZING, ANTICONVULSANTS, ANXIOLYTIC | CIBA-GEIGY CORPORATION (US) | 1984-02-28 | — | — | US | disclosed |
| US-4356176-A | TRANQUILIZERS, ANTICONVULSANT | CIBA-GEIGY CORPORATION (US) | 1982-10-26 | — | — | US | disclosed |
| US-4315926-A | ANXIOLYTIC AGENTS | CIBA-GEIGY CORPORATION (US) | 1982-02-16 | — | — | US | disclosed |