Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.60 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | NSD2 | O96028 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.49 |
| ▸ | APP | P05067 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL21026687 | 0.83 | CYP1A2 (0.70) | CYP1A2RPS6KA2MAPTALDH1A1HPGD | |
| SCHEMBL3259551 | 0.79 | CYP1A2 (1.00) | CYP1A2MAPTALDH1A1RAB9AKDM4E | |
| SCHEMBL20945151 | 0.79 | MAPK1 (0.59) | CYP1A2MAPTALDH1A1MAPK1KDM4E | |
| SCHEMBL14322059 | 0.78 | CYP1A2 (0.74) | CYP1A2MAPTALDH1A1KDM4ELMNA | |
| Hydrochloric Acid SCHEMBL5138493 | 0.77 | CYP1A2 (0.96) | CYP1A2MAPTALDH1A1RAB9AKDM4E | |
| SCHEMBL11403753 | 0.77 | CYP1A2 (0.59) | CYP1A2RPS6KA2MAPTALDH1A1RAB9A | |
| SCHEMBL9657352 | 0.77 | CYP1A2 (0.71) | CYP1A2RPS6KA2MAPTALDH1A1RAB9A | |
| SCHEMBL133402 | 0.77 | CYP1A2 (0.71) | CYP1A2RPS6KA2MAPTALDH1A1RAB9A | |
| SCHEMBL28085321 | 0.77 | MGLL (0.53) | RPS6KA2MAPTALDH1A1RAB9AMAPK1 | |
| SCHEMBL9656206 | 0.76 | CYP1A2 (0.60) | CYP1A2ALDH1A1RAB9AHPGDSMN1; 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-2006047514-A2 | DAPH ANALOGS AND INHIBITION OF PROTEIN AGGREGATION | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2006-05-04 | — | — | WO | disclosed |