Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | THPO | P40225 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9740810 | 0.89 | HTR1A (0.48) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| SCHEMBL9689852 | 0.86 | HTR1A (0.46) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| SCHEMBL9691198 | 0.85 | CYP3A4 (0.51) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| SCHEMBL8128946 | 0.83 | HTR1A (0.47) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| Fumaric Acid SCHEMBL9631171 | 0.81 | HTR1A (0.45) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| Fumaric Acid SCHEMBL9807342 | 0.81 | CYP3A4 (0.50) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| Hydrochloric Acid SCHEMBL9800689 | 0.78 | HTR1A (0.54) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| Barmastine SCHEMBL30712053 | 0.78 | KDM4E (0.45) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| Barmastine SCHEMBL141926 | 0.78 | KDM4E (0.45) | CYP3A4HTR1AHTR2CMEN1TSHR | |
| SCHEMBL9629604 | 0.77 | HTR1A (0.43) | CYP3A4HTR1AHTR2CMEN1TSHR |
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-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |