Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL12440823 | 0.81 | ALDH1A1 (0.43) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL3431902 | 0.79 | KDM4E (0.45) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL23310396 | 0.78 | HDAC8 (0.37) | ALDH1A1CA2CA12CA9CA14 | |
| Hydrochloric Acid SCHEMBL3432097 | 0.78 | KDM4E (0.44) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL60385 | 0.77 | ALDH1A1 (0.58) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL8550513 | 0.77 | CYP2A6 (0.52) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL28669343 | 0.75 | CYP2A6 (0.50) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL3432965 | 0.75 | CYP2A6 (0.50) | LOXL2ALDH1A1KDM4ELMNAGAA | |
| SCHEMBL6835309 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KDM4EGAACYP2A6HPGD | |
| SCHEMBL4304070 | 0.73 | CYP2A6 (0.48) | LOXL2ALDH1A1KDM4ELMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012064973-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INFINITY PHARMACEUTICALS, INC. (US) | 2012-05-18 | — | — | WO | disclosed |
| WO-2011149937-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. (US) | 2011-12-01 | — | — | WO | disclosed |
| WO-2011022439-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. (US) | 2011-02-24 | — | — | WO | disclosed |
| WO-2010129816-A2 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INTELLIKINE, INC. (US) | 2010-11-11 | — | — | WO | disclosed |