Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 5/20 | 0.38 |
| ▸ | BCHE | P06276 | 4/20 | 0.38 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.38 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9724146 | 0.85 | LMNA (0.64) | LMNAKDM4EMAPTALDH1A1PKM | |
| SCHEMBL9494320 | 0.85 | LMNA (0.64) | LMNAKDM4EMAPTALDH1A1PKM | |
| SCHEMBL9724121 | 0.83 | LMNA (0.62) | LMNAKDM4EMAPTALDH1A1PKM | |
| SCHEMBL16256881 | 0.81 | ALDH1A1 (0.40) | LMNAKDM4EMAPTALDH1A1NT5E | |
| SCHEMBL9724211 | 0.78 | NT5E (0.39) | LMNAKDM4ENT5E | |
| SCHEMBL4768081 | 0.77 | LMNA (1.00) | LMNAKDM4EMAPTALDH1A1PKM | |
| SCHEMBL30572382 | 0.77 | LMNA (1.00) | LMNAKDM4EMAPTALDH1A1PKM | |
| SCHEMBL829490 | 0.77 | LMNA (0.72) | LMNAKDM4EMAPTALDH1A1PKM | |
| Hydrochloric Acid SCHEMBL9494656 | 0.75 | LMNA (0.96) | LMNAKDM4EMAPTALDH1A1ELANE | |
| SCHEMBL9724150 | 0.75 | LMNA (0.51) | LMNAKDM4EMAPTALDH1A1PKM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5112837-A | Inhibitors of thymidylate synthetase enzyme | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-05-12 | — | — | US | disclosed |
| EP-0318225-A2 | 6-Aryl aminomethyl quinoline derivatives and their use as anti-tumour agents | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-05-31 | — | — | EP | disclosed |