Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | GPR183 | P32249 | 1/20 | 0.34 |
| ▸ | UBE2M | P61081 | 1/20 | 0.34 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3279457 | 0.90 | ALDH1A1 (0.41) | ALDH1A1POLBMAPTRAB9ATP53 | |
| SCHEMBL4717841 | 0.89 | CCR5 (0.39) | ALDH1A1POLBMAPTCHRNA3ALOX12 | |
| SCHEMBL4718312 | 0.89 | CCR5 (0.39) | ALDH1A1POLBMAPTCHRNA3ALOX12 | |
| SCHEMBL3284870 | 0.79 | CCR5 (0.41) | ALDH1A1KMT2ATP53ALOX12 | |
| SCHEMBL3285188 | 0.79 | CCR5 (0.41) | ALDH1A1KMT2ATP53ALOX12 | |
| SCHEMBL3314680 | 0.76 | CCR3 (0.41) | ALDH1A1ALOX12 | |
| SCHEMBL4722465 | 0.76 | CCR3 (0.41) | ALDH1A1ALOX12 | |
| SCHEMBL5657432 | 0.76 | CHRNA7 (0.43) | MAPTGPR183 | |
| SCHEMBL3311181 | 0.75 | CCR5 (0.36) | ALDH1A1ALOX12 | |
| SCHEMBL5659306 | 0.75 | EGFR (0.31) | EGFR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1558600-B1 | SELECTED CGRP ANTAGONISTS, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENT | BOEHRINGER INGELHEIM PHARMA (DE) | 2008-05-07 | — | — | EP | claimed |