Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.37 |
| ▸ | RCOR1 | Q9UKL0 | 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 | |
|---|---|---|---|---|
| SCHEMBL23146476 | 0.83 | CA1 (0.38) | CA1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL9037008 | 0.79 | MAOA (0.44) | CA1SMN1; SMN2KDM4EMAPTMAOB | |
| SCHEMBL16500516 | 0.78 | CA1 (0.57) | CA1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL1660314 | 0.72 | MAOA (0.61) | CA1KDM4EMAPTMAOBMAOA | |
| SCHEMBL13330945 | 0.71 | ALDH1A1 (0.37) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL9378182 | 0.70 | CA1 (0.46) | CA1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL21523818 | 0.69 | KDM4E (0.47) | CA1KDM4EL3MBTL1HTR2AHTR2C | |
| SCHEMBL172227 | 0.69 | HTR2A (0.44) | CA1IDO1TAAR1ACHEKDM1A | |
| SCHEMBL21523837 | 0.68 | CHRNB2 (0.48) | CA1ALDH1A1TAAR1KDM1ARCOR1 | |
| SCHEMBL21723161 | 0.66 | HTR2A (0.41) | CA1KDM4EALDH1A1IDO1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012034095-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |
| WO-2012034095-A1 | COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS | IRM LLC (BM) | 2012-03-15 | — | — | WO | disclosed |