Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | GPR139 | Q6DWJ6 | 4/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.52 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.52 |
| ▸ | CDK1 | P06493 | 1/20 | 0.52 |
| ▸ | CSF1R | P07333 | 1/20 | 0.52 |
| ▸ | PRKACA | P17612 | 1/20 | 0.52 |
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 | 1.00 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3646228 | 1.00 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3686677 | 0.91 | ALDH1A1 (0.60) | ALDH1A1LMNASMN1; SMN2NPC1MAPK1 | |
| SCHEMBL3640686 | 0.88 | ALDH1A1 (0.55) | ALDH1A1LMNASMN1; SMN2GPR139MAPK1 | |
| SCHEMBL13229107 | 0.88 | ALDH1A1 (0.73) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL30358447 | 0.86 | ALDH1A1 (0.71) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL10777991 | 0.85 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL3508505 | 0.85 | ALDH1A1 (0.69) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 | |
| SCHEMBL8659273 | 0.84 | ALDH1A1 (0.49) | ALDH1A1LMNAGAAPOLBTDP1 | |
| SCHEMBL13229106 | 0.84 | ALDH1A1 (0.68) | ALDH1A1LMNASMN1; SMN2NPC1GPR139 |
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 5 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 |
| EP-2178837-A2 | ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY | COMENTIS, INC. (US) | 2010-04-28 | — | — | EP | disclosed |
| WO-2010042030-A1 | ASPARTYL PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2010-04-15 | — | — | WO | disclosed |
| WO-2009015369-A2 | COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF | COMENTIS, INC. (US) | 2009-01-29 | — | — | WO | disclosed |