Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.44 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.44 |
| ▸ | HTR3B | O95264 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9622436 | 0.87 | GAA (0.60) | ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10 | |
| SCHEMBL99475 | 0.84 | TSHR (0.53) | ALDH1A1SMN1; SMN2KDM4EHSD17B10TSHR | |
| SCHEMBL22987088 | 0.79 | GAA (0.48) | ALDH1A1SMN1; SMN2KDM4ETSHRCYP1A2 | |
| SCHEMBL9474066 | 0.77 | HTR4 (0.43) | ALDH1A1SMN1; SMN2HPGDTSHRCYP1A2 | |
| SCHEMBL7367657 | 0.76 | PTPN11 (0.52) | TSHRHTR4CYP3A4LMNAADRA2A | |
| SCHEMBL7267139 | 0.75 | GAA (0.50) | ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2D6 | |
| SCHEMBL99019 | 0.74 | GAA (0.73) | ALDH1A1SMN1; SMN2TSHRCYP1A2CYP2D6 | |
| SCHEMBL29242370 | 0.73 | GAA (0.50) | ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10 | |
| SCHEMBL9458199 | 0.73 | GAA (0.44) | ALDH1A1SMN1; SMN2HPGDHSD17B10TSHR | |
| SCHEMBL11167484 | 0.73 | HSD17B10 (0.49) | ALDH1A1SMN1; SMN2HPGDHSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5244907-A | Treatment of serotonin imbalance, increase in gastric motility, antiemetics, antiarrhythmia agents | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-09-14 | — | — | US | disclosed |
| US-5190953-A | 1-azabicyclo(3.2.1.)octan-5-ylmethyl- or 1-azabicyclo(3.3.1) nonan-5-ylmethyl derivatives of carboxamides, thiocarboxamides or esters, thioesters | A. H. ROBINS COMPANY, INCORPORATED (US) | 1993-03-02 | — | — | US | disclosed |
| US-5137895-A | Antiemetic, anxiolytic, gastric emptying and serotonin modulating activity | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-08-11 | — | — | US | disclosed |