Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1587373 | 0.91 | SIGMAR1 (0.43) | ALDH1A1CYP2C9TSHRCYP2C19MAOA | |
| SCHEMBL1586715 | 0.84 | TACR1 (0.42) | ALDH1A1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL27887682 | 0.72 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| Formic Acid SCHEMBL27531693 | 0.70 | TACR1 (0.42) | CYP2C19CYP3A4TACR1MEN1KMT2A | |
| Phenethylamine SCHEMBL11627755 | 0.69 | HTR2A (0.76) | SMN1; SMN2CYP2C19CYP2D6CYP1A2MAOA | |
| SCHEMBL1586350 | 0.69 | CYP2D6 (0.44) | ALDH1A1SMN1; SMN2CYP2C9TSHRCYP2C19 | |
| SCHEMBL6623954 | 0.69 | EPHX1 (0.49) | CYP2C19CYP3A4TACR1EPHX1 | |
| SCHEMBL23083579 | 0.68 | MAOA (0.47) | ALDH1A1CYP2C9TSHRCYP2C19CYP2D6 | |
| SCHEMBL20787990 | 0.68 | TACR1 (0.45) | ALDH1A1CYP2C9TSHRCYP2C19CYP3A4 | |
| SCHEMBL9954933 | 0.68 | DPP4 (0.44) | TSHRCYP3A4IDO1MAOASLC6A2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2490687-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | Vertex Pharmaceuticals Incorporated (US) | 2012-08-29 | — | — | EP | disclosed |
| WO-2011050325-A1 | COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-04-28 | — | — | WO | disclosed |
| EP-2231280-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074575-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2009-06-18 | — | — | WO | disclosed |