Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.96 |
| ▸ | PTPRC | P08575 | 3/20 | 0.60 |
| ▸ | S100A4 | P26447 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.59 |
| ▸ | CASP3 | P42574 | 3/20 | 0.59 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | TDP2 | O95551 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 1/20 | 0.56 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | CA7 | P43166 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL151957 | 0.98 | CYP3A4 (1.00) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| Methane SCHEMBL28326322 | 0.96 | CYP3A4 (0.96) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL3134182 | 0.84 | TDP1 (0.74) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL29202832 | 0.83 | CYP3A4 (0.71) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL27559675 | 0.83 | CYP3A4 (0.71) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL177892 | 0.80 | CYP3A4 (0.68) | CYP3A4TDP1ALDH1A1SMN1; SMN2CASP3 | |
| Phthalimide SCHEMBL27559674 | 0.80 | CYP3A4 (0.67) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL3566821 | 0.78 | CYP3A4 (0.65) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL3566817 | 0.78 | CYP3A4 (0.65) | CYP3A4TDP1PTPRCS100A4ALDH1A1 | |
| SCHEMBL16303093 | 0.78 | CYP3A4 (0.67) | CYP3A4TDP1ALDH1A1SMN1; SMN2CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101898985-B | N-substituted benzenesulfonyl-substituted benzamides small molecular inhibitor of Bcl-2 protein and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2014-05-28 | — | — | CN | disclosed |
| CN-101899008-B | N-substituted pyrimidine sulfonyl-substituted benzamide type small molecular inhibitor for Bcl-2 protein and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2012-10-17 | — | — | CN | disclosed |
| CN-101899008-A | N-substituted pyrimidine sulfonyl-substituted benzamide type small molecular inhibitor for Bcl-2 protein and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2010-12-01 | — | — | CN | disclosed |
| CN-101898985-A | N-substituted benzenesulfonyl-substituted benzamides small molecular inhibitor of Bcl-2 protein and application thereof | UNIV PLA 2ND MILITARY MEDICAL | 2010-12-01 | — | — | CN | disclosed |