Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | CTH | P32929 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | HRH2 | P25021 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27720164 | 0.89 | DNM1 (0.48) | ALDH1A1TSHRDNM1TDP1CTH | |
| SCHEMBL212626 | 0.82 | — | — | |
| SCHEMBL1290871 | 0.82 | ALDH1A1 (0.75) | ALDH1A1TSHRDNM1TDP1CYP2C9 | |
| SCHEMBL25775736 | 0.80 | — | — | |
| SCHEMBL25775731 | 0.80 | AOC3 (0.41) | ALDH1A1TSHR | |
| SCHEMBL15468557 | 0.80 | — | — | |
| Bromide SCHEMBL30558707 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TSHRDNM1TDP1CYP2C9 | |
| SCHEMBL10790523 | 0.78 | ALDH1A1 (0.83) | ALDH1A1TSHRDNM1TDP1CYP2C9 | |
| SCHEMBL26135085 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TSHRDNM1TDP1CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL17238883 | 0.78 | ALDH1A1 (0.69) | ALDH1A1TSHRDNM1TDP1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0913388-B1 | Hydrogenation of nitriles to produce amines | AIR PROD & CHEM (US) | 2003-10-01 | — | — | EP | disclosed |
| EP-0913388-A1 | Hydrogenation of nitriles to produce amines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-05-06 | — | — | EP | disclosed |