Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10475185 | 1.00 | TSHR (0.38) | TSHRKCNN4KDM4EMAPTCYP3A4 | |
| SCHEMBL21386084 | 0.78 | KCNN4 (0.40) | KCNN4TP53LMNA | |
| SCHEMBL12180351 | 0.77 | ACHE (0.40) | MAPTALDH1A1HPGDHSD17B10TDP1 | |
| SCHEMBL7956479 | 0.76 | TDP1 (0.30) | CYP3A4ALDH1A1HSD17B10TDP1 | |
| SCHEMBL27651656 | 0.75 | MEN1 (0.38) | TSHRMAPTCYP3A4TP53USP2 | |
| SCHEMBL17493484 | 0.75 | CYP2A6 (0.38) | TAAR1ALDH1A1 | |
| SCHEMBL24196865 | 0.75 | SIGMAR1 (0.36) | KCNN4MAPTTP53ATMTAAR1 | |
| SCHEMBL20366917 | 0.75 | ACHE (0.44) | TSHRMAPTCYP3A4TP53ALDH1A1 | |
| SCHEMBL12460965 | 0.74 | IDO1 (0.38) | MAPTHSD17B10TDP1 | |
| SCHEMBL9656548 | 0.74 | IDO1 (0.38) | TSHRMAPTCYP3A4ALDH1A1TDP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113173877-A | Indole acetyl imino sulfone series compound and preparation method thereof | 江西师范大学 | 2021-07-27 | — | — | CN | disclosed |
| EP-3617198-A1 | GUANIDINE DERIVATIVE | Lunan Pharmaceutical Group Corporation (CN) | 2020-03-04 | — | — | EP | disclosed |
| EP-2834238-B1 | DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS | PFIZER (US) | 2017-02-01 | — | — | EP | disclosed |
| EP-1730110-B1 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2010-06-09 | — | — | EP | disclosed |
| WO-2008134398-A1 | OXIMYL DIPEPTIDE HEPATITIS C PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |