Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | UBE2M | P61081 | 1/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4730930 | 0.76 | ALDH1A1 (0.46) | TACR1ALDH1A1HTTNPSR1TSHR | |
| SCHEMBL4780749 | 0.72 | CCR2 (0.46) | TACR1CCR2 | |
| SCHEMBL14221691 | 0.70 | TACR1 (0.65) | TACR1CCR2ALDH1A1HTTTSHR | |
| Ammonia Solution, Strong SCHEMBL3036646 | 0.69 | TACR1 (0.64) | TACR1CCR2ALDH1A1HTTTSHR | |
| SCHEMBL3029505 | 0.67 | TACR1 (0.51) | TACR1ALDH1A1HTTTSHRSMN1; SMN2 | |
| SCHEMBL4731356 | 0.67 | TACR1 (0.44) | TACR1CCR2ALDH1A1TSHRSMN1; SMN2 | |
| Trifluoroacetic Acid SCHEMBL3030594 | 0.67 | TACR1 (0.64) | TACR1CCR2ALDH1A1 | |
| SCHEMBL3033742 | 0.64 | ALDH1A1 (0.52) | TACR1ALDH1A1HTTKMT2AUBE2M | |
| SCHEMBL3141349 | 0.61 | ITGB3 (0.58) | MEN1KMT2A | |
| SCHEMBL16507206 | 0.61 | SMN1; SMN2 (0.55) | ALDH1A1HTTNPSR1MEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008045564-A2 | CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR | EPIX DELAWARE, INC. (US) | 2008-04-17 | — | — | WO | disclosed |