Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3071789 | 0.79 | ALDH1A1 (0.50) | ALDH1A1TSHRHPGDHTTMAOB | |
| SCHEMBL7156549 | 0.79 | ALDH1A1 (0.42) | ALDH1A1TSHRCA12HTTNPC1 | |
| SCHEMBL6771987 | 0.76 | ALDH1A1 (0.47) | ALDH1A1TSHRHPGDHTTMAOB | |
| SCHEMBL4988735 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRHPGDCA12CA9 | |
| SCHEMBL30467840 | 0.75 | ALDH1A1 (0.46) | ALDH1A1TSHRHPGDCA12CA9 | |
| SCHEMBL7528501 | 0.74 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDHTTMAOB | |
| SCHEMBL10599335 | 0.73 | MAOB (0.39) | ALDH1A1HPGDCA12CA9HTT | |
| SCHEMBL2598224 | 0.72 | MAOB (0.47) | MAOBLMNAMAPK1CYP1A2 | |
| SCHEMBL6158455 | 0.70 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDHTTACHE | |
| SCHEMBL3335582 | 0.70 | ALDH1A1 (0.55) | ALDH1A1TSHRHPGDHTTACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-6057311-A | TREATING EATING DISORDERS | JAMES BLACK FOUNDATION LIMITED (GB) | 2000-05-02 | — | — | US | disclosed |
| WO-1997032860-A1 | BENZODIAZONINE DERIVATIVES BINDING TO CHOLECYSTOKININ OR GASTRIN RECEPTORS | JAMES BLACK FOUNDATION LIMITED (GB) | 1997-09-12 | — | — | WO | disclosed |