Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CA3 | P07451 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL987150 | 0.90 | LMNA (0.45) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL4907208 | 0.85 | CA12 (0.60) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL27189692 | 0.83 | ALDH1A1 (0.68) | ALDH1A1HPGDCYP1A2CYP3A4TSHR | |
| SCHEMBL30822595 | 0.83 | ALDH1A1 (0.68) | ALDH1A1HPGDCYP1A2CYP3A4TSHR | |
| SCHEMBL4898203 | 0.83 | MEN1 (0.55) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL1457782 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL30927157 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL20873369 | 0.81 | BPTF (0.42) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL983196 | 0.79 | HPGD (0.46) | ALDH1A1HPGDCYP3A4TSHRTPMT | |
| SCHEMBL985523 | 0.78 | ALDH1A1 (0.61) | ALDH1A1HPGDLMNATPMTKDM4E |
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-7875631-B2 | e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed | ANALYTECON S.A. (CH) | 2011-01-25 | — | — | US | disclosed |
| US-4003927-A | DIURETICS | MERCK & CO., INC. (US) | 1977-01-18 | — | — | US | disclosed |