Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.54 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | F10 | P00742 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PHGDH | O43175 | 2/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3345042 | 0.88 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNAGPR139MEN1 | |
| SCHEMBL3646228 | 0.88 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNAGPR139MEN1 | |
| SCHEMBL3351175 | 0.88 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2LMNAGPR139MEN1 | |
| SCHEMBL9318785 | 0.82 | SMN1; SMN2 (0.73) | ALDH1A1TAS1R3TAS1R1SMN1; SMN2LMNA | |
| SCHEMBL28651689 | 0.82 | SMN1; SMN2 (0.73) | ALDH1A1TAS1R3TAS1R1SMN1; SMN2LMNA | |
| SCHEMBL2977147 | 0.80 | NPSR1 (0.59) | ALDH1A1PARP1KMT2AANPEP | |
| P-Xylene SCHEMBL17907442 | 0.79 | PARP1 (0.76) | ALDH1A1PARP1LMNACYP2C19TDP1 | |
| SCHEMBL3686677 | 0.79 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL3648293 | 0.79 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2PARP1LMNAMEN1 | |
| SCHEMBL3643873 | 0.78 | PARP1 (0.44) | ALDH1A1TAS1R3TAS1R1PARP1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | claimed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | claimed |