Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.75 |
| ▸ | NOD2 | Q9HC29 | 2/20 | 0.75 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.75 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.75 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.75 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.65 |
| ▸ | CSF1R | P07333 | 2/20 | 0.63 |
| ▸ | HTT | P42858 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.61 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.57 |
| ▸ | HTR3A | P46098 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11594488 | 0.98 | TNF (0.73) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL7165480 | 0.92 | TNF (0.87) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL939417 | 0.87 | TNF (0.79) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL7337702 | 0.86 | NOD1 (1.00) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL990644 | 0.84 | HTT (0.66) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL3718063 | 0.83 | RAB9A (0.67) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL7530572 | 0.83 | TNF (0.72) | TNFNOD2NOD1CXCL8SOS1 | |
| SCHEMBL9537915 | 0.81 | RAB9A (0.65) | KMT2ARAB9AHTTMEN1ALDH1A1 | |
| SCHEMBL8881382 | 0.81 | RAB9A (0.65) | KMT2ARAB9AHTTMEN1ALDH1A1 | |
| SCHEMBL7168102 | 0.81 | KMT2A (0.71) | TNFNOD2NOD1CXCL8SOS1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5151424-A | Antiallergens or antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-29 | — | — | US | disclosed |
| EP-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |
| US-5071846-A | Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-12-10 | — | — | US | disclosed |
| US-4988689-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-01-29 | — | — | US | disclosed |
| EP-0297661-A1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1989-01-04 | — | — | EP | disclosed |