Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CA4 | P22748 | 2/20 | 0.36 |
| ▸ | CA6 | P23280 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CA5A | P35218 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3954846 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCYP1A2CA12 | |
| SCHEMBL8011003 | 1.00 | ALDH1A1 (0.39) | ALDH1A1TDP1TSHRCYP1A2CA12 | |
| SCHEMBL1273487 | 0.97 | ALDH1A1 (0.41) | ALDH1A1TDP1TSHRCYP1A2CA12 | |
| SCHEMBL3457117 | 0.88 | GBA1 (0.41) | ALDH1A1TDP1TSHRCYP1A2CA12 | |
| SCHEMBL13016325 | 0.88 | GBA1 (0.41) | ALDH1A1TDP1TSHRCYP1A2CA12 | |
| SCHEMBL3167746 | 0.88 | TSHR (0.59) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL6613226 | 0.88 | TSHR (0.59) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL11690158 | 0.88 | TSHR (0.59) | ALDH1A1TSHRCYP1A2CYP2C19 | |
| SCHEMBL7526271 | 0.88 | CA12 (0.56) | TSHRCYP1A2CA12F13A1CA2 | |
| SCHEMBL5595517 | 0.88 | TSHR (0.59) | ALDH1A1TSHRCYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1050565-A2 | Method of hydrophobisation and preparations for carrying out said method | BASF AKTIENGESELLSCHAFT (DE) | 2000-11-08 | — | — | EP | disclosed |