Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 3/20 | 0.73 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.73 |
| ▸ | DRD3 | P35462 | 3/20 | 0.73 |
| ▸ | LMNA | P02545 | 3/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.73 |
| ▸ | DRD2 | P14416 | 2/20 | 0.73 |
| ▸ | HTR2B | P41595 | 2/20 | 0.73 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.73 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.73 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.73 |
| ▸ | HTR3B | O95264 | 1/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | MPO | P05164 | 1/20 | 0.73 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.73 |
| ▸ | DRD4 | P21917 | 1/20 | 0.73 |
| ▸ | HTR2A | P28223 | 1/20 | 0.73 |
| ▸ | HTR2C | P28335 | 1/20 | 0.73 |
| ▸ | HTR3A | P46098 | 1/20 | 0.73 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.73 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.73 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5925617 | 0.99 | RAB9A (0.73) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL18618398 | 0.89 | ADRA2A (0.71) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL20348311 | 0.88 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL5925593 | 0.88 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL31437345 | 0.88 | ADRA2A (0.70) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL17068288 | 0.87 | ADRA2A (0.69) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL22022234 | 0.87 | ADRA2A (0.69) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| Hydrochloric Acid SCHEMBL5925589 | 0.87 | RAB9A (0.71) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL31236938 | 0.86 | LMNA (0.67) | ADRA2ACYP2D6DRD3LMNACYP1A2 | |
| SCHEMBL22022353 | 0.86 | ADRA2A (0.67) | ADRA2ACYP2D6DRD3LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | claimed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | claimed |
| US-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |