Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 4/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL5566136 | 0.79 | AKR1C3 (0.54) | AKR1C3CYP2C9TDP1KMT2AMAPK1 | |
| SCHEMBL87436 | 0.78 | ELANE (0.54) | ELANECYP1A2MAPTTDP1KMT2A | |
| SCHEMBL28171294 | 0.78 | AKR1C3 (0.48) | ELANEAKR1C3CYP2C9MAPTTDP1 | |
| SCHEMBL28018464 | 0.78 | ELANE (0.47) | ELANEAKR1C3CYP2C9MAPTTDP1 | |
| SCHEMBL9641152 | 0.76 | ELANE (0.53) | ELANECYP1A2MAPTTDP1KMT2A | |
| SCHEMBL461096 | 0.76 | ELANE (0.53) | ELANECYP1A2MAPTTDP1KMT2A | |
| SCHEMBL12657652 | 0.76 | AKR1C3 (0.50) | AKR1C3CYP2C9MAPTTDP1KMT2A | |
| SCHEMBL26092904 | 0.75 | AKR1C3 (0.46) | ELANEAKR1C3CYP1A2CYP2C9MAPT | |
| SCHEMBL9714414 | 0.75 | ELANE (0.51) | ELANECYP1A2MAPTTDP1KMT2A | |
| SCHEMBL9419997 | 0.74 | ELANE (0.49) | ELANECYP1A2MAPTTDP1ALDH1A1 |
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-104109222-B | A kind of preparation of the hybrid integral material of the silane reagent of sesquialter containing polyhedral oligomeric | 中国科学院大连化学物理研究所 | 2017-09-15 | — | — | CN | disclosed |