Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYR | P14679 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.35 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.35 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.35 |
| ▸ | ABAT | P80404 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29956336 | 1.00 | TYR (0.47) | TYRALDH1A1SMN1; SMN2ALDH1A3TSHR | |
| SCHEMBL9945904 | 0.84 | TYR (0.47) | TYRALDH1A1SMN1; SMN2ALDH1A3TSHR | |
| SCHEMBL9231758 | 0.81 | TYR (0.52) | TYRALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL18488056 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHRPTGS2TDP1 | |
| SCHEMBL18488113 | 0.80 | NFE2L2 (0.33) | — | |
| SCHEMBL24666654 | 0.78 | TYR (0.45) | TYRALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL29820525 | 0.78 | TYR (0.45) | TYRALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL23718577 | 0.78 | CNR2 (0.41) | TYRALDH1A1TSHRKDM4ERAB9A | |
| SCHEMBL9322668 | 0.78 | TYR (0.48) | TYRALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL29818670 | 0.78 | TYR (0.48) | TYRALDH1A1SMN1; SMN2ALDH1A3TSHR |
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-2017023905-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |