Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.33 |
| ▸ | APAF1 | O14727 | 1/20 | 0.32 |
| ▸ | PRKCI | P41743 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL1443103 | 0.84 | HSD17B10 (0.37) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL28999416 | 0.73 | CYP1A2 (0.33) | SMN1; SMN2LMNACYP2D6CYP19A1 | |
| Pyridine SCHEMBL28078344 | 0.72 | TSHR (0.39) | SMN1; SMN2MEN1KMT2ALMNATSHR | |
| SCHEMBL14655772 | 0.72 | MAPT (0.48) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| SCHEMBL16610671 | 0.71 | HDAC1 (0.39) | HSP90AA1 | |
| SCHEMBL29197129 | 0.71 | NPC1 (0.48) | SMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL30788428 | 0.69 | NOS3 (0.57) | MEN1KMT2ASCN9ANOS3NOS1 | |
| SCHEMBL28485239 | 0.69 | CYP19A1 (0.43) | SMN1; SMN2MEN1KMT2AALDH1A1LMNA | |
| Hydrogen Peroxide SCHEMBL28125104 | 0.67 | — | — | |
| SCHEMBL3800806 | 0.67 | CA1 (0.38) | MEN1KMT2ATSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104837829-A | Inhibitor compounds | CANCER REC TECH LTD | 2015-08-12 | — | — | CN | disclosed |