Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 5/20 | 0.45 |
| ▸ | CCR1 | P32246 | 1/20 | 0.44 |
| ▸ | CCR8 | P51685 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL230035 | 0.84 | ERN1 (0.60) | ALDH1A1L3MBTL1GAATDP1MAPT | |
| SCHEMBL29357470 | 0.84 | ERN1 (0.60) | ALDH1A1L3MBTL1GAATDP1MAPT | |
| SCHEMBL29377043 | 0.82 | ERN1 (0.58) | ALDH1A1L3MBTL1GAATDP1MAPT | |
| SCHEMBL20562670 | 0.81 | ERN1 (0.65) | ALDH1A1CYP3A4L3MBTL1MAPTCYP1A2 | |
| Quinoline SCHEMBL8846098 | 0.78 | ALDH1A1 (0.45) | ALDH1A1CYP3A4L3MBTL1GAATDP1 | |
| SCHEMBL20669627 | 0.78 | ERN1 (0.65) | ALDH1A1CYP3A4L3MBTL1GAATDP1 | |
| Quinoline SCHEMBL16047322 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP3A4L3MBTL1MAPTCYP1A2 | |
| Phenanthrene SCHEMBL28062390 | 0.77 | ALDH1A1 (0.77) | ALDH1A1CYP3A4TDP1MAPTCYP1A2 | |
| SCHEMBL15845323 | 0.76 | HPRT1 (0.52) | ALDH1A1CYP3A4L3MBTL1GAATDP1 | |
| Quinoline SCHEMBL28269722 | 0.76 | ALDH1A1 (0.63) | ALDH1A1CYP3A4L3MBTL1MAPTCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0278543-A1 | Process and composition for inhibiting high-temperature iron and steel corrosion | PUMPTECH N.V. (BE) | 1988-08-17 | — | — | EP | disclosed |