Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28614794 | 0.81 | TNFRSF1A (0.36) | CYP3A4CYP1A2MAPTS1PR1ALOX5 | |
| SCHEMBL28608376 | 0.79 | CYP3A4 (0.38) | CYP3A4SMN1; SMN2USP2MAPK1LMNA | |
| SCHEMBL12375248 | 0.76 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2USP2MAPK1LMNA | |
| SCHEMBL28604124 | 0.75 | IMPDH2 (0.39) | CYP3A4SMN1; SMN2LMNAKDM4ENPC1 | |
| SCHEMBL6475818 | 0.74 | CYP3A4 (0.51) | CYP3A4SMN1; SMN2USP2MAPK1LMNA | |
| SCHEMBL28413351 | 0.74 | POLB (0.44) | CYP3A4SMN1; SMN2USP2MAPK1KDM4E | |
| SCHEMBL21957646 | 0.72 | PDE3B (0.43) | CYP3A4SMN1; SMN2USP2MAPK1LMNA | |
| SCHEMBL31643926 | 0.71 | POLB (0.42) | CYP3A4SMN1; SMN2USP2MAPK1KDM4E | |
| SCHEMBL4133119 | 0.71 | CYP3A4 (0.43) | CYP3A4SMN1; SMN2USP2MAPK1KDM4E | |
| SCHEMBL28603871 | 0.70 | TNFRSF1A (0.38) | CYP3A4MAPTTNFRSF1AHDAC8ROR1 |
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-109293493-B | Novel benzhydryl compounds with mycobacterium tuberculosis inhibiting activity | 清华大学 | 2021-08-03 | — | — | CN | disclosed |