Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 5/20 | 0.35 |
| ▸ | TUBB4A | P04350 | 4/20 | 0.35 |
| ▸ | TUBB | P07437 | 4/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 4/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 4/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 4/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 4/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 4/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL221217 | 0.87 | CA1 (0.46) | ALDH1A1TSHRTRPA1NFE2L2CA12 | |
| SCHEMBL221587 | 0.84 | CA1 (0.46) | ALDH1A1TSHRTRPA1NFE2L2CA12 | |
| Styrene SCHEMBL7259240 | 0.78 | TRPA1 (0.49) | ALDH1A1TSHRTRPA1NFE2L2CA4 | |
| Chlorotriphenylmethane SCHEMBL6250867 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRCYP1A2NPC1RAB9A | |
| 1,2-Dimethoxybenzene SCHEMBL27615214 | 0.78 | ALDH1A1 (0.64) | ALDH1A1TSHRTRPA1NFE2L2CA12 | |
| Styrene SCHEMBL26678767 | 0.78 | TSHR (0.48) | ALDH1A1TSHRCA2CYP1A2NPC1 | |
| SCHEMBL2445298 | 0.76 | CA1 (0.55) | ALDH1A1TSHRCA12CA1CA2 | |
| Pyridine SCHEMBL6531369 | 0.75 | CYP19A1 (0.42) | ALDH1A1CA12CA1CA2CA4 | |
| SCHEMBL221588 | 0.74 | NFE2L2 (0.42) | TSHRNFE2L2CA12CA1CA2 | |
| SCHEMBL30388593 | 0.74 | NFE2L2 (0.42) | TSHRNFE2L2CA12CA1CA2 |
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-2003051881-A1 | SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES | RIBAPHARM INC. (US) | 2003-06-26 | — | — | WO | disclosed |