Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | TDP2 | O95551 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24388772 | 0.81 | BRD4 (0.43) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL24389272 | 0.78 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL12377509 | 0.78 | ALDH1A1 (0.41) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL12362398 | 0.77 | TERT (0.46) | SMN1; SMN2POLBCA12CA1CA2 | |
| SCHEMBL12377505 | 0.77 | RAB9A (0.58) | ALDH1A1SMN1; SMN2POLBCA12CA1 | |
| SCHEMBL12377500 | 0.75 | RAB9A (0.55) | ALDH1A1SMN1; SMN2POLBCA12CA1 | |
| SCHEMBL12377506 | 0.75 | RAB9A (0.41) | POLBCA12CA1CA2CA9 | |
| SCHEMBL14173250 | 0.72 | ALDH1A1 (0.47) | ALDH1A1POLBCA12CA1CA2 | |
| SCHEMBL14173255 | 0.72 | PLAU (0.45) | ALDH1A1SMN1; SMN2CA2HPGDKDM4E | |
| SCHEMBL2055554 | 0.71 | BRD4 (0.41) | ALDH1A1POLBGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-7989624-B2 | Aryl spirolactam CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-08-02 | — | — | US | disclosed |