Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9564825 | 0.88 | HTR1A (0.50) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL9564827 | 0.85 | SSTR5 (0.44) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| Bromide SCHEMBL9565007 | 0.75 | KCNH2 (0.42) | — | |
| SCHEMBL9564828 | 0.74 | HRH1 (0.49) | HTR1ASIGMAR1ADRA1DADRA1AADRA2A | |
| SCHEMBL9564890 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL10576819 | 0.71 | HTR1A (0.60) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL9697527 | 0.67 | HTR1A (0.45) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL9458265 | 0.67 | HTR1A (0.72) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| Bromide SCHEMBL10370436 | 0.66 | HTR1A (0.70) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B | |
| SCHEMBL11107203 | 0.65 | ADRA2A (0.55) | HTR1ASIGMAR1ADRA1DADRA1AADRA1B |
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-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | 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 |