Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096618 | 0.89 | SIGMAR1 (0.53) | SIGMAR1KCNH2 | |
| SCHEMBL8976810 | 0.84 | SIGMAR1 (0.44) | SIGMAR1KCNH2POLBOPRK1LMNA | |
| SCHEMBL8091460 | 0.79 | CYP3A4 (0.45) | KCNH2TAAR1OPRK1LMNACYP1A2 | |
| SCHEMBL8091279 | 0.78 | SIGMAR1 (0.50) | SIGMAR1KCNH2LMNACYP1A2CYP3A4 | |
| SCHEMBL9373860 | 0.77 | SIGMAR1 (0.52) | SIGMAR1LMNACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9374331 | 0.75 | SIGMAR1 (0.49) | SIGMAR1KCNH2 | |
| SCHEMBL27576246 | 0.73 | CYP3A4 (0.63) | SIGMAR1KCNH2ATMTAAR1OPRK1 | |
| SCHEMBL12269593 | 0.73 | CYP3A4 (0.63) | SIGMAR1KCNH2ATMTAAR1OPRK1 | |
| SCHEMBL8976770 | 0.72 | SIGMAR1 (0.43) | SIGMAR1KCNH2POLBLMNACYP1A2 | |
| SCHEMBL7616722 | 0.72 | RAB9A (0.71) | SIGMAR1KCNH2POLBATMTAAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0284621-B1 | NEW PSYCHOSTIMULANT AGENT | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1995-01-18 | — | — | EP | disclosed |
| EP-0284621-A1 | NEW PSYCHOSTIMULANT AGENT. | CHINOIN GYOGYSZER ES VEGYESZET (HU) | 1988-10-05 | — | — | EP | disclosed |
| WO-1988002254-A1 | NEW PSYCHOSTIMULANT AGENT | Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) | 1988-04-07 | — | — | WO | disclosed |