Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | USP2 | O75604 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 3/20 | 0.33 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564782 | 0.88 | KCNH2 (0.45) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| SCHEMBL9564771 | 0.83 | NR4A2 (0.39) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| Bromide SCHEMBL9564796 | 0.81 | NR4A2 (0.54) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| Bromide SCHEMBL9698321 | 0.80 | KCNH2 (0.61) | KCNH2NR4A2ALDH1A1SOS1LMNA | |
| SCHEMBL9564845 | 0.80 | KCNH2 (0.64) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| SCHEMBL9564803 | 0.79 | NOS2 (0.46) | ALDH1A1HSD17B10MEN1KMT2ACDK4 | |
| Hydrochloric Acid SCHEMBL9564856 | 0.79 | KCNH2 (0.63) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| SCHEMBL9564950 | 0.79 | SOS1 (0.42) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| SCHEMBL9564960 | 0.78 | CYP1A2 (0.43) | KCNH2NR4A2CYP1A2ALDH1A1USP2 | |
| SCHEMBL9564789 | 0.78 | NR4A2 (0.42) | KCNH2NR4A2CYP1A2ALDH1A1USP2 |
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 |