Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 9/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | EGFR | P00533 | 1/20 | 0.55 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.55 |
| ▸ | KDR | P35968 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 3/20 | 0.53 |
| ▸ | CA9 | Q16790 | 3/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 2/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9229976 | 0.79 | TYMS (0.52) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL9232601 | 0.78 | TYMS (0.62) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL9233969 | 0.78 | BRD2 (0.52) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL9212480 | 0.78 | TYMS (0.49) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL9780864 | 0.78 | LMNA (0.64) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL28927348 | 0.77 | LMNA (0.76) | LMNAALDH1A1THRBTSHRMAPK1 | |
| SCHEMBL31503556 | 0.77 | TYMS (0.74) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL7243528 | 0.76 | LMNA (0.62) | TYMSLMNAALDH1A1THRBTSHR | |
| SCHEMBL15597323 | 0.76 | LMNA (0.65) | TYMSLMNAALDH1A1THRBTSHR | |
| Metronidazole SCHEMBL19948918 | 0.76 | LMNA (0.83) | LMNAALDH1A1THRBTSHRMAPK1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3828065-A | 2-METHYL-5-NITRO-1-(2-PHENYLTHIOETHYL)IMIDAZOLES | SEARLE & CO | 1974-08-06 | — | — | US | disclosed |