Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 12/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | THPO | P40225 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | GMNN | O75496 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8432140 | 0.83 | TACR1 (0.36) | TACR1CYP2D6HTR2C | |
| SCHEMBL8531040 | 0.82 | TACR1 (0.53) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8530408 | 0.79 | HTR2C (0.44) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL2908098 | 0.70 | KDM1A (0.37) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27743375 | 0.67 | POLB (0.40) | TSHR | |
| SCHEMBL8922485 | 0.67 | TACR1 (0.61) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8539700 | 0.67 | TACR1 (0.61) | TACR1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9024565 | 0.66 | TACR1 (1.00) | TACR1 | |
| SCHEMBL9024868 | 0.66 | TACR1 (1.00) | TACR1 | |
| Hydrochloric Acid SCHEMBL8544520 | 0.66 | MEN1 (0.62) | TACR1TP53CYP1A2CYP3A4CYP2D6 |
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-5892039-A | Piperazino derivatives as neurokinin antagonists | SCHERING CORPORATION (US) | 1999-04-06 | — | — | US | disclosed |
| US-5798359-A | USEFUL FOR TREATMENT OF RESPIRATORY DISORDERS SUCH AS ASTHMA | SCHERING CORPORATION (US) | 1998-08-25 | — | — | US | disclosed |
| US-5795894-A | TREATMENT OF ASTHMA AND BRONCHOSPASM | SCHERING CORPORATION (US) | 1998-08-18 | — | — | US | disclosed |
| US-5719156-A | ASTHMA | SCHERING CORPORATION (US) | 1998-02-17 | — | — | US | disclosed |