Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.61 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.45 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Butoxyethanol SCHEMBL5892032 | 0.98 | TSHR (0.63) | TSHRMEN1KMT2ATHRBHTT | |
| Toluene SCHEMBL9105788 | 0.95 | TSHR (0.52) | TSHRMEN1KMT2ATHRBHTT | |
| Toluene SCHEMBL27526151 | 0.93 | MEN1 (0.60) | TSHRMEN1KMT2ATHRBHTT | |
| Butoxyethanol SCHEMBL391210 | 0.89 | TSHR (0.71) | TSHRMEN1KMT2ATHRBHTT | |
| Toluene SCHEMBL349785 | 0.89 | TSHR (0.50) | TSHRALDH1A1LMNARECQLHPGD | |
| Butoxyethanol SCHEMBL6416346 | 0.85 | TSHR (0.65) | TSHRMEN1KMT2ATHRBHTT | |
| Butoxyethanol SCHEMBL10659415 | 0.83 | TSHR (0.45) | TSHRMEN1KMT2ATHRBHTT | |
| Toluene SCHEMBL4953353 | 0.83 | LTA4H (0.50) | TSHRMEN1KMT2ATHRBHTT | |
| Butoxyethanol SCHEMBL9396565 | 0.82 | TSHR (0.61) | TSHRMEN1KMT2ATHRBHTT | |
| Toluene SCHEMBL27590448 | 0.81 | TSHR (0.45) | TSHRALDH1A1LMNARECQLHPGD |
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-1995010936-A1 | ANIMAL REPELLENT | NEW MEXICO TECH RESEARCH FOUNDATION (US) | 1995-04-27 | — | — | WO | disclosed |