Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TKT | P29401 | 4/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL13177070 | 0.81 | TSHR (0.59) | CYP1A2TSHRLMNANFKB1BLM | |
| SCHEMBL10691982 | 0.75 | LMNA (0.40) | CYP1A2TSHRLMNANFKB1BLM | |
| Hydrochloric Acid SCHEMBL10691595 | 0.73 | LMNA (0.39) | CYP1A2TSHRLMNANFKB1BLM | |
| SCHEMBL15161926 | 0.71 | LMNA (0.56) | CYP1A2TSHRLMNANFKB1BLM | |
| SCHEMBL10686150 | 0.71 | LMNA (0.59) | CYP1A2TSHRLMNANFKB1BLM | |
| SCHEMBL23748348 | 0.70 | LMNA (0.63) | CYP1A2TSHRLMNAKDM4EALDH1A1 | |
| SCHEMBL29895545 | 0.70 | LMNA (0.63) | CYP1A2TSHRLMNAKDM4EALDH1A1 | |
| SCHEMBL478879 | 0.70 | LMNA (0.63) | CYP1A2TSHRLMNAKDM4EALDH1A1 | |
| SCHEMBL12346332 | 0.70 | LMNA (0.63) | CYP1A2TSHRLMNAKDM4EALDH1A1 | |
| SCHEMBL15369436 | 0.69 | LMNA (0.58) | CYP1A2TSHRLMNANFKB1BLM |
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-4794182-A | 2-Alkyl-4-amino-5-aminomethylpyrimidines | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-12-27 | — | — | US | disclosed |