Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOS1 | Q07889 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9564853 | 0.82 | ALDH1A1 (0.52) | HSD17B10ALDH1A1LMNA | |
| SCHEMBL9564990 | 0.80 | NR4A2 (0.40) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| Bromide SCHEMBL9564796 | 0.79 | NR4A2 (0.54) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL9564899 | 0.79 | KCNH2 (0.40) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL9564845 | 0.78 | KCNH2 (0.64) | SOS1CYP1A2CYP3A4CYP2D6NR4A2 | |
| SCHEMBL9564782 | 0.77 | KCNH2 (0.45) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL9564856 | 0.77 | KCNH2 (0.63) | SOS1CYP1A2CYP3A4CYP2D6NR4A2 | |
| Water SCHEMBL9564805 | 0.77 | KCNH2 (0.48) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| Water SCHEMBL9564802 | 0.77 | KCNH2 (0.48) | SOS1CYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL9564960 | 0.77 | CYP1A2 (0.43) | CYP1A2CYP3A4MEN1KMT2ACYP2D6 |
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 |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| US-5021431-A | H-1 antagonist, h-2 agonist for treating hypertension, cardiac disease or arterial occlusion | HEUMANN PHARMA GMBH & CO. (DE) | 1991-06-04 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |