Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | MGLL | Q99685 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PLK1 | P53350 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL775290 | 0.80 | TP53 (0.43) | TP53CA2TSHRMAPK1ATM | |
| SCHEMBL9022447 | 0.79 | — | — | |
| SCHEMBL885161 | 0.78 | TP53 (0.42) | TP53CA2TSHRMAPK1ATM | |
| SCHEMBL27871379 | 0.76 | HRH3 (0.46) | CA2TAAR1 | |
| Ethylbenzene SCHEMBL27402658 | 0.73 | TP53 (0.70) | TP53CA2TSHRMAPK1ATM | |
| SCHEMBL21587159 | 0.73 | CA2 (0.38) | TP53CA2TSHRMAPK1ATM | |
| SCHEMBL36295 | 0.72 | TP53 (0.67) | TP53CA2TSHRMAPK1ATM | |
| SCHEMBL1898522 | 0.72 | ACHE (0.44) | CA2TSHRTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL23368507 | 0.71 | KMT2A (0.35) | TDP1L3MBTL1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL12967241 | 0.71 | LMNA (0.53) | TP53CA2L3MBTL1TAAR1CYP2A6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0552553-B1 | Sulfonimidamides as antineoplastic agents | LILLY CO ELI (US) | 1997-07-23 | — | — | EP | disclosed |
| US-5258406-A | Antitumor agents | ELI LILLY AND COMPANY (US) | 1993-11-02 | — | — | US | disclosed |
| EP-0552553-A1 | Sulfonimidamides as antineoplastic agents | ELI LILLY AND COMPANY (US) | 1993-07-28 | — | — | EP | disclosed |