Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | BCHE | P06276 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9724222 | 0.83 | LMNA (0.56) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL10517897 | 0.83 | CYP1A2 (0.48) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9724245 | 0.81 | LMNA (0.55) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL9593290 | 0.81 | LMNA (0.62) | LMNAPKMCYP1A2KDM4EALDH1A1 | |
| SCHEMBL9724124 | 0.80 | CYP2C19 (0.49) | PKMCYP1A2CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL27551107 | 0.80 | LMNA (0.53) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11877337 | 0.79 | PKM (0.55) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL12877168 | 0.78 | MAOA (0.57) | CYP1A2CYP2D6CYP2C9CYP2C19RXFP1 | |
| SCHEMBL14044130 | 0.76 | CYP1A2 (0.72) | LMNAPKMCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11874958 | 0.75 | KDM4E (0.46) | LMNAPKMKDM4EALDH1A1MAPT |
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 |