Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.48 |
| ▸ | FEN1 | P39748 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | JAK1 | P23458 | 1/20 | 0.41 |
| ▸ | TYK2 | P29597 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL31568534 | 0.81 | TSHR (0.61) | TP53ALDH1A1ERCC5FEN1TSHR | |
| SCHEMBL9587172 | 0.81 | TSHR (0.61) | TP53ALDH1A1ERCC5FEN1TSHR | |
| SCHEMBL25282980 | 0.79 | ALDH1A1 (0.54) | TP53ALDH1A1ERCC5FEN1TSHR | |
| SCHEMBL6401692 | 0.79 | CA1 (0.63) | TP53ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL11207523 | 0.77 | CA1 (0.61) | TP53ALDH1A1TSHRHSD17B10CYP3A4 | |
| SCHEMBL5223648 | 0.77 | CSNK2A1 (0.41) | TP53ALDH1A1TDP1SMN1; SMN2RAB9A | |
| SCHEMBL16955522 | 0.76 | ALDH1A1 (0.61) | TP53ALDH1A1ERCC5FEN1TSHR | |
| SCHEMBL224469 | 0.76 | ALDH1A1 (1.00) | TP53ALDH1A1ERCC5FEN1TSHR | |
| Hydrochloric Acid SCHEMBL10628934 | 0.74 | TP53 (0.59) | TP53ALDH1A1ERCC5FEN1TSHR | |
| SCHEMBL2956458 | 0.74 | HSD17B10 (0.50) | TP53ALDH1A1TSHRHSD17B10CYP3A4 |
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-5204482-A | Ethylenediamine monoamide heteroaryl derivatives | HOFFMAN-LAROCHE INC. (US) | 1993-04-20 | — | — | US | disclosed |
| US-5011849-A | Monoamine oxidase inhibitors | HOFFMANN-LA ROCHE INC. (US) | 1991-04-30 | — | — | US | disclosed |
| US-4198428-A | PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-15 | — | — | US | disclosed |