Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.43 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7647318 | 0.92 | TSHR (0.49) | TSHRALDH1A1TDP1AKR1C3AKR1C2 | |
| SCHEMBL1497989 | 0.90 | TSHR (0.60) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| SCHEMBL28171346 | 0.88 | TSHR (0.58) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| SCHEMBL30490414 | 0.88 | TSHR (0.58) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| SCHEMBL27771692 | 0.88 | TSHR (0.58) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| Ethylene SCHEMBL29290025 | 0.86 | TSHR (0.56) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| SCHEMBL2572950 | 0.83 | ALDH1A1 (0.64) | TSHRALDH1A1TDP1MEN1KMT2A | |
| SCHEMBL4469803 | 0.83 | GPR35 (0.56) | TSHRALDH1A1TDP1L3MBTL1MEN1 | |
| Ethylene Glycol SCHEMBL29290024 | 0.82 | TSHR (0.53) | TSHRALDH1A1TDP1L3MBTL1ALOX15 | |
| SCHEMBL14854036 | 0.81 | MAPT (0.45) | TSHRALDH1A1TDP1TP53MEN1 |
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-2008054454-A2 | NITROGEN-CONTAINING HETEROCYCLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF AS ANTIVIRAL AGENTS | TRANSTECH PHARMA, INC. (US) | 2008-05-08 | — | — | WO | disclosed |