Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 6/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.43 |
| ▸ | PARP15 | Q460N3 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PARP14 | Q460N5 | 2/20 | 0.43 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.43 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3791222 | 0.90 | BCAT2 (0.47) | ALDH1A1CYP3A4TDP1KMT2AMAPT | |
| SCHEMBL28905797 | 0.89 | PARP10 (0.47) | PARP10ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL29203839 | 0.88 | BCAT2 (0.48) | ALDH1A1CYP3A4TDP1KMT2AMAPT | |
| SCHEMBL31506393 | 0.86 | BCAT2 (0.47) | ALDH1A1CYP3A4TDP1KMT2AMAPT | |
| SCHEMBL7793962 | 0.81 | PARP10 (0.52) | PARP10ALDH1A1CHEK2PARP15KMT2A | |
| SCHEMBL16741757 | 0.80 | IKBKB (0.51) | CYP3A4TDP1CHEK2KMT2AMEN1 | |
| SCHEMBL3784596 | 0.80 | BCAT2 (0.63) | ALDH1A1CYP3A4BRD4MAPTGAA | |
| SCHEMBL29178210 | 0.79 | PARP10 (0.49) | PARP10ALDH1A1CYP3A4TSHRTDP1 | |
| SCHEMBL15170596 | 0.78 | ALDH1A1 (0.48) | ALDH1A1CYP3A4TSHRTDP1BRD4 | |
| SCHEMBL14972617 | 0.78 | PARP10 (0.46) | PARP10CHEK2BCAT2 |
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-112694630-B | Discontinuous fiber reinforced poly-hexahydrotriazine resin-based heat-conducting composite material and preparation method thereof | 华南理工大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-112646102-B | Polyhexahydrotriazine thermosetting resin containing aromatic amide structure and preparation method thereof | 华南理工大学 | 2021-12-17 | — | — | CN | disclosed |
| CN-112694630-A | Discontinuous fiber reinforced poly-hexahydrotriazine resin-based heat-conducting composite material and preparation method thereof | 华南理工大学 | 2021-04-23 | — | — | CN | disclosed |
| CN-112646102-A | Polyhexahydrotriazine thermosetting resin containing aromatic amide structure and preparation method thereof | 华南理工大学 | 2021-04-13 | — | — | CN | disclosed |