Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.70 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9129690 | 0.87 | RAB9A (0.69) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL864643 | 0.87 | RAB9A (0.69) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL9607336 | 0.86 | ALDH1A1 (0.79) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL5604883 | 0.85 | ALDH1A1 (0.76) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Formic Acid SCHEMBL6366129 | 0.85 | IDO1 (0.53) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| Anisaldehyde SCHEMBL717471 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNACA1CA2 | |
| Anisaldehyde SCHEMBL1100 | 0.84 | ALDH1A1 (1.00) | ALDH1A1CYP2A6LMNACA1CA2 | |
| SCHEMBL34413 | 0.84 | IDO1 (0.67) | ALDH1A1TDP1IDO1AGXTSMN1; SMN2 | |
| SCHEMBL12951679 | 0.84 | RAB9A (0.69) | ALDH1A1CYP2A6RAB9ANPC1TDP1 | |
| SCHEMBL16831500 | 0.83 | NPC1 (0.57) | ALDH1A1CYP2A6RAB9ANPC1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017136769-A1 | PEPTIDE DRUG CONJUGATES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017136769-A1 | PEPTIDE DRUG CONJUGATES | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2017-08-10 | — | — | WO | disclosed |