Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL62595 | 0.94 | HRH3 (0.53) | NCF1HRH3ALDH1A1MEN1KMT2A | |
| SCHEMBL27729376 | 0.92 | HRH3 (0.51) | NCF1HRH3ALDH1A1MEN1KMT2A | |
| SCHEMBL27724955 | 0.86 | SMN1; SMN2 (0.46) | NCF1HRH3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL27801847 | 0.84 | SMN1; SMN2 (0.49) | NCF1HRH3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL27829415 | 0.84 | HRH3 (0.54) | NCF1HRH3ALDH1A1HTTKDM4E | |
| SCHEMBL27809061 | 0.81 | NCF1 (0.58) | NCF1HRH3ALDH1A1HTTKDM4E | |
| SCHEMBL27778712 | 0.81 | HRH3 (0.58) | NCF1HRH3ALDH1A1MEN1KMT2A | |
| SCHEMBL23113743 | 0.79 | HRH3 (0.47) | NCF1HRH3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL845155 | 0.79 | HRH3 (0.52) | NCF1HRH3ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL3149449 | 0.78 | NCF1 (0.55) | NCF1HRH3ALDH1A1HTTKDM4E |
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-101652383-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2013-09-18 | — | — | CN | disclosed |
| CN-102245613-A | Phenyl and heteroaryl substituted thieno[2, 3-d] pyrimidines and their use as adenosine A2a receptor antagonists | JANSSEN PHARMACEUTICA NV | 2011-11-16 | — | — | CN | disclosed |
| CN-101652383-A | Hepatitis c virus inhibitors | SQUIBB BRISTOL MYERS CO US | 2010-02-17 | — | — | CN | disclosed |