Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.53 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | XPO1 | O14980 | 2/20 | 0.40 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.38 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.38 |
| ▸ | METAP2 | P50579 | 1/20 | 0.37 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 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 | |
|---|---|---|---|---|
| SCHEMBL10619249 | 0.81 | PIM1 (0.51) | CYP3A4ARPDE3BPDE3AXPO1 | |
| SCHEMBL22545406 | 0.79 | CACNA1C (0.42) | ARPDE3BPDE3AELANEXPO1 | |
| SCHEMBL1041892 | 0.78 | METAP2 (0.58) | NCF1MCHR1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL5365123 | 0.78 | XPO1 (0.56) | NCF1MCHR1ARXPO1NUDT1 | |
| SCHEMBL23714118 | 0.78 | KMT2A (0.55) | CYP1A2CYP3A4CYP2C19TP53ATM | |
| SCHEMBL23714119 | 0.77 | KDM4E (0.50) | NUDT1PFKFB3TP53ATM | |
| SCHEMBL30668526 | 0.76 | NCF1 (0.59) | NCF1MCHR1CYP1A2CYP2C19TP53 | |
| SCHEMBL23714120 | 0.75 | ELANE (0.50) | MCHR1ELANETP53 | |
| SCHEMBL38650982 | 0.75 | PIM1 (0.40) | ARELANEPIM1PIM2 | |
| SCHEMBL22545405 | 0.74 | MTNR1A (0.40) | MCHR1PFKFB3ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-20210238415-A1 | POLYMER, METAL REMOVAL COMPOSITION, AND METHOD OF REMOVING METAL IONS | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2021-08-05 | — | — | US | disclosed |