Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CTSL | P07711 | 1/20 | 0.45 |
| ▸ | CTSB | P07858 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2652933 | 0.85 | CTSL (0.61) | ALDH1A1SMN1; SMN2KDM4ETDP1LMNA | |
| SCHEMBL163381 | 0.84 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2KDM4ETDP1LMNA | |
| SCHEMBL3350745 | 0.82 | LMNA (0.62) | ALDH1A1KDM4EL3MBTL1LMNAMAPT | |
| SCHEMBL23198535 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL28883896 | 0.81 | KDM4E (0.54) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPK1 | |
| SCHEMBL31254231 | 0.81 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1CYP1A2 | |
| SCHEMBL22292210 | 0.80 | KDM4E (0.62) | ALDH1A1SMN1; SMN2KDM4EL3MBTL1MAPK1 | |
| SCHEMBL9724191 | 0.80 | LMNA (0.58) | SMN1; SMN2LMNAPKM | |
| SCHEMBL20944487 | 0.80 | MEN1 (0.60) | ALDH1A1L3MBTL1LMNAMAPTHPGD | |
| SCHEMBL9319008 | 0.80 | TNF (0.50) | ALDH1A1SMN1; SMN2KDM4ELMNACYP1A2 |
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 |