Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 2/20 | 0.38 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 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 | |
|---|---|---|---|---|
| SCHEMBL23419503 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ALDH5A1ABATKMT2A | |
| SCHEMBL7402179 | 0.80 | ALDH1A1 (0.56) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL20559900 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL30306602 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KMT2APTGS2 | |
| SCHEMBL4461196 | 0.77 | ALDH1A1 (0.52) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL3757660 | 0.75 | ALDH1A1 (0.68) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL6852409 | 0.75 | ALDH1A1 (0.68) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| Terephthalic Acid SCHEMBL11068404 | 0.73 | ALDH1A1 (1.00) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL18133156 | 0.73 | ALDH1A1 (0.65) | ALDH1A1ALDH5A1ABATPARP10PARP3 | |
| SCHEMBL63361 | 0.73 | ALDH1A1 (1.00) | ALDH1A1ALDH5A1ABATPARP10PARP3 |
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-1289990-A1 | TETRACYCLIC DIKETOPIERAZINE COMPOUNDS AS PDEV INHIBITORS | Lilly Icos LLC (US) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001094347-A1 | TETRACYCLIC DIKETOPIPERAZINE COMPOUNDS AS PDEV INHIBITORS | LILLY ICOS LLC (US) | 2001-12-13 | — | — | WO | disclosed |