Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.70 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.70 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.70 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 5/20 | 0.60 |
| ▸ | HTT | P42858 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | STAT1 | P42224 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.58 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | MMP2 | P08253 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL17822171 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL17822173 | 0.85 | ALDH1A1 (0.73) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL1557472 | 0.83 | SMN1; SMN2 (0.69) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL1558819 | 0.83 | SMN1; SMN2 (0.69) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL1558821 | 0.83 | SMN1; SMN2 (0.69) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL1557475 | 0.83 | SMN1; SMN2 (0.69) | ALDH1A1TAS1R3TAS1R1NFE2L2HPGD | |
| SCHEMBL703147 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TAS1R3TAS1R1HPGDHTT | |
| SCHEMBL703146 | 0.82 | ALDH1A1 (1.00) | ALDH1A1TAS1R3TAS1R1HPGDHTT | |
| SCHEMBL1559271 | 0.82 | NFE2L2 (0.67) | ALDH1A1NFE2L2HPGDSMN1; SMN2MEN1 | |
| SCHEMBL1559268 | 0.82 | NFE2L2 (0.67) | ALDH1A1NFE2L2HPGDSMN1; SMN2MEN1 |
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-2010144959-A1 | ANALOGUES OF ANTI-FIBROTIC AGENTS | FIBROTECH THERAPEUTICS PTY LTD (AU) | 2010-12-23 | — | — | WO | disclosed |