Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.51 |
| ▸ | NPC1 | O15118 | 7/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4140152 | 0.77 | RAB9A (0.51) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL5617566 | 0.76 | RAB9A (0.45) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| Acetonitrile SCHEMBL7372452 | 0.76 | KDM4E (0.43) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| Hydrochloric Acid SCHEMBL8376217 | 0.75 | RAB9A (0.44) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL20507129 | 0.74 | KMT2A (0.71) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| Hydrochloric Acid SCHEMBL7273103 | 0.74 | RAB9A (0.46) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL8377420 | 0.73 | RAB9A (0.51) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL4140149 | 0.73 | RAB9A (0.48) | RAB9ANPC1SMN1; SMN2LMNAHPGD | |
| SCHEMBL10342451 | 0.73 | RAB9A (0.58) | RAB9ANPC1SMN1; SMN2HPGDKMT2A | |
| SCHEMBL12051092 | 0.72 | THRB (0.51) | RAB9ANPC1SMN1; SMN2LMNAHPGD |
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-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | claimed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | claimed |
| CN-102797043-B | Medicinal molecular fragment library and construction process thereof | Tianli (Tianjin) Technology Co., Ltd. (CN) | 2015-11-25 | — | — | CN | disclosed |
| CN-102797043-A | Medicinal molecular fragment library and construction method thereof | CBB NETWORK CO LTD | 2012-11-28 | — | — | CN | disclosed |