Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.43 |
| ▸ | TYR | P14679 | 1/20 | 0.43 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11440351 | 0.81 | ALDH1A1 (0.58) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL10656799 | 0.76 | ALDH1A1 (0.49) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL29427761 | 0.76 | ALDH1A1 (0.49) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL17286693 | 0.74 | ALDH1A1 (0.48) | ALDH1A1GAANPC1RAB9AHPGD | |
| 1,4-Dimethoxybenzene SCHEMBL28296591 | 0.73 | ALDH1A1 (0.58) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL10899134 | 0.72 | NPC1 (0.50) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL4640510 | 0.72 | ALDH1A1 (0.43) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL12732640 | 0.71 | LTA4H (0.57) | ALDH1A1GAANPC1RAB9AHPGD | |
| SCHEMBL6828545 | 0.71 | TRIM24 (0.51) | ALDH1A1GAANPC1RAB9AHPGD | |
| Mequinol SCHEMBL3810378 | 0.70 | ALDH1A1 (0.59) | ALDH1A1GAANPC1RAB9AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010074969-A1 | PHOTOCHROMIC OPTICAL ARTICLES PREPARED WITH REVERSIBLE THERMOCHROMIC MATERIALS | TRANSITIONS OPTICAL, INC. (US) | 2010-07-01 | — | — | WO | disclosed |