Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 8/20 | 0.51 |
| ▸ | HTR7 | P34969 | 7/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.50 |
| ▸ | DRD2 | P14416 | 2/20 | 0.49 |
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR6 | P50406 | 1/20 | 0.49 |
| ▸ | DRD5 | P21918 | 1/20 | 0.48 |
| ▸ | DRD3 | P35462 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
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 SCHEMBL6072915 | 0.99 | HTR7 (0.50) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| SCHEMBL6072836 | 0.97 | HTR1A (0.51) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL6073412 | 0.96 | HTR1A (0.51) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| SCHEMBL5592219 | 0.85 | HTR7 (0.64) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| SCHEMBL6072924 | 0.85 | HTR1A (0.45) | HTR1AHTR7ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL6072969 | 0.85 | HTR1A (0.44) | HTR1AHTR7ADRA1DADRA1AADRA1B | |
| Hydrochloric Acid SCHEMBL5592239 | 0.85 | HTR7 (0.62) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| SCHEMBL11175537 | 0.83 | HTR7 (0.73) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| SCHEMBL4522960 | 0.82 | HTR1A (0.61) | HTR1AHTR7MEN1KMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL4524619 | 0.81 | HTR1A (0.60) | HTR1AHTR7MEN1KMT2ACYP1A2 |
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-2006013445-A2 | THIAZOLIDINEDIONE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR ANTAGONISTS | RANBAXY LABORATORIES LIMITED (IN) | 2006-02-09 | — | — | WO | disclosed |