Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.40 |
| ▸ | PRKCG | P05129 | 1/20 | 0.40 |
| ▸ | PRKCB | P05771 | 1/20 | 0.40 |
| ▸ | PRKCA | P17252 | 1/20 | 0.40 |
| ▸ | PRKCH | P24723 | 1/20 | 0.40 |
| ▸ | PRKCI | P41743 | 1/20 | 0.40 |
| ▸ | PRKCE | Q02156 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.40 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27658942 | 0.87 | ACE2 (0.47) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL28945783 | 0.87 | ACE2 (0.47) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL28945775 | 0.87 | ACE2 (0.47) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL9750779 | 0.87 | ACE2 (0.47) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL28614253 | 0.87 | ACE2 (0.47) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL9750819 | 0.84 | OPRM1 (0.46) | ACE2LMNAUSP2SPHK1TP53 | |
| SCHEMBL25757742 | 0.84 | HTT (0.53) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL25757747 | 0.84 | HTT (0.53) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL3314759 | 0.83 | OPRM1 (0.46) | ACE2LMNAUSP2SPHK1PRKD3 | |
| SCHEMBL13061575 | 0.83 | OPRM1 (0.46) | ACE2LMNAUSP2SPHK1PRKD3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |