Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 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 | |
|---|---|---|---|---|
| SCHEMBL11221211 | 1.00 | ALDH1A1 (0.47) | ALDH1A1GPR52ALBMAOBCES2 | |
| SCHEMBL1678003 | 0.82 | TSHR (0.60) | ALDH1A1CES2CES1TSHRMAPT | |
| SCHEMBL29466609 | 0.82 | GPR52 (0.58) | ALDH1A1GPR52ALBMAOBCES2 | |
| SCHEMBL29466638 | 0.82 | GPR52 (0.58) | ALDH1A1GPR52ALBMAOBCES2 | |
| SCHEMBL22692107 | 0.82 | GPR52 (0.58) | ALDH1A1GPR52ALBMAOBCES2 | |
| SCHEMBL333947 | 0.77 | TSHR (0.63) | ALDH1A1ALBCES2CES1ALOX15 | |
| Hydrochloric Acid SCHEMBL785156 | 0.76 | TSHR (0.61) | ALDH1A1ALBCES2CES1ALOX15 | |
| SCHEMBL7080990 | 0.75 | CES2 (0.61) | ALDH1A1ALBCES2CES1ALOX15 | |
| SCHEMBL10919848 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CES2CES1BCHETSHR | |
| SCHEMBL10919845 | 0.74 | ALDH1A1 (0.57) | ALDH1A1CES2CES1BCHETSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-57126442-A | — | — | None | — | — | JP | disclosed |
| JP-S57126442-A | NOVEL 2-BUTENOIC ACID COMPOUND | GRELAN PHARMACEUT CO LTD | 1982-08-06 | — | — | JP | disclosed |