Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL15084977 | 0.86 | CA12 (0.47) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL15082531 | 0.85 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL15082525 | 0.80 | ALDH1A1 (0.52) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL31123242 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL24865581 | 0.77 | ALDH1A1 (0.45) | ALDH1A1MEN1KMT2ASMN1; SMN2CYP1A2 | |
| SCHEMBL4567024 | 0.75 | CA12 (0.51) | ALDH1A1MEN1KMT2ACA12CA1 | |
| SCHEMBL2421402 | 0.74 | IDO1 (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2CA12 | |
| SCHEMBL29246740 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2HPGDKDM4EGAA | |
| SCHEMBL29771757 | 0.74 | SMN1; SMN2 (0.43) | ALDH1A1SMN1; SMN2HPGDKDM4EGAA | |
| SCHEMBL593088 | 0.73 | ALDH1A1 (0.51) | ALDH1A1MEN1KMT2ASMN1; SMN2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-9075014-B2 | pH-responsive fluorescent false neurotransmitters and their use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2015-07-07 | — | — | US | disclosed |
| US-20130171664-A1 | PH-RESPONSIVE FLUORESCENT FALSE NEUROTRANSMITTERS AND THEIR USE | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | 2013-07-04 | — | — | US | disclosed |