Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | FNTA | P49354 | 1/20 | 0.39 |
| ▸ | FNTB | P49356 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Phenol SCHEMBL28390534 | 0.85 | TDP1 (0.52) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL28036694 | 0.83 | CA2 (0.50) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL11051535 | 0.78 | CA2 (0.55) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL28125145 | 0.78 | KEAP1 (0.57) | TDP1ALDH1A1MAPK1MAPTCYP19A1 | |
| Phenol SCHEMBL27644207 | 0.78 | HSD17B3 (0.53) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL27787950 | 0.77 | CA2 (0.61) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL7623685 | 0.77 | CA12 (0.69) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL11512905 | 0.77 | CA12 (0.69) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL28922548 | 0.77 | CA2 (0.69) | CA2TDP1CA12CA1GLA | |
| Phenol SCHEMBL28505932 | 0.77 | CA2 (0.69) | CA2TDP1CA12CA1GLA |
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-2019046303-A1 | A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2019-03-07 | — | — | WO | disclosed |