Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.56 |
| ▸ | NPC1 | O15118 | 7/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | GSK3B | P49841 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.48 |
| ▸ | SCD | O00767 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.48 |
| ▸ | METAP1 | P53582 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL145495 | 0.80 | RAB9A (0.65) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL7470030 | 0.72 | RAB9A (1.00) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL1894738 | 0.72 | CDK2 (0.64) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL747058 | 0.71 | KDM4E (0.60) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL28094507 | 0.70 | ALDH1A1 (0.40) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL15899814 | 0.70 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL628283 | 0.70 | L3MBTL1 (0.62) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL21533450 | 0.69 | ALDH1A1 (1.00) | RAB9ANPC1SMN1; SMN2TP53THRB | |
| SCHEMBL995829 | 0.69 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2ALDH1A1AURKA | |
| SCHEMBL4600722 | 0.68 | AURKA (1.00) | RAB9ANPC1SMN1; SMN2TP53THRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-107602564-B | Bruton's tyrosine kinase inhibitor | 南京亘泰医药技术有限公司 | 2019-08-30 | — | — | CN | disclosed |
| CN-107602564-A | Bruton's tyrosine kinase inhibitor | 南京亘泰医药技术有限公司 | 2018-01-19 | — | — | CN | disclosed |
| CN-106831789-A | Bruton's tyrosine kinase inhibitor | 南京亘泰医药技术有限公司 | 2017-06-13 | — | — | CN | disclosed |