Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 5/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14899725 | 0.81 | TDP1 (0.44) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL14081793 | 0.81 | ALDH1A1 (0.44) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL23177886 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL3244307 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL3241999 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP3A4TSHRTDP1GFER | |
| SCHEMBL9195186 | 0.75 | ESR1 (0.48) | ALDH1A1CYP3A4TDP1MEN1KMT2A | |
| SCHEMBL27770079 | 0.75 | IDO1 (0.48) | ALDH1A1TDP1LOXL2KMT2ANPC1 | |
| SCHEMBL975422 | 0.75 | IDO1 (0.48) | ALDH1A1TDP1RAB9A | |
| SCHEMBL7850367 | 0.75 | IDO1 (0.48) | ALDH1A1CYP3A4TSHRTDP1MAPK1 | |
| SCHEMBL8824002 | 0.75 | APP (0.46) | CYP3A4APP |
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-108117568-B | Silicon-based triphenylamine derivative, preparation method thereof and application thereof in perovskite solar cell | 苏州大学 | 2020-07-14 | — | — | CN | disclosed |