Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3030672 | 0.82 | KDM1A (0.59) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL1268756 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL31726567 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL11469366 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11291701 | 0.78 | ALDH1A1 (0.48) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL3186220 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL28557487 | 0.77 | KDM1A (0.63) | ALDH1A1TSHRKDM1AMAPTMEN1 | |
| Hydrochloric Acid SCHEMBL3178540 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL4391221 | 0.75 | ALDH1A1 (0.67) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 | |
| SCHEMBL24942650 | 0.75 | TDP1 (0.50) | ALDH1A1TSHRKDM1AMAPTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012085815-A1 | BI-HETEROARYL COMPOUNDS AS VPS34 INHIBITORS | NOVARTIS AG (CH) | 2012-06-28 | — | — | WO | disclosed |