Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 8/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | GLA | P06280 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | STK17B | O94768 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 4/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15084970 | 0.84 | MAOB (0.53) | MAOAMAOBHPGDALDH1A1KDM4E | |
| SCHEMBL15082530 | 0.83 | NQO2 (0.43) | HPGDALDH1A1KDM4EMAPTGAA | |
| SCHEMBL15082526 | 0.75 | ALDH1A1 (0.50) | HPGDALDH1A1KDM4EMAPTGAA | |
| SCHEMBL24865516 | 0.74 | NQO2 (0.49) | HPGDALDH1A1KDM4EMAPTGAA | |
| SCHEMBL31123221 | 0.69 | ADAM17 (0.44) | MAOBHPGDALDH1A1KDM4EMAPT | |
| SCHEMBL3028465 | 0.69 | CA1 (0.46) | ALDH1A1MAPTLMNACNR2 | |
| SCHEMBL15084989 | 0.69 | ALDH1A1 (0.43) | HPGDALDH1A1KDM4EMAPTGAA | |
| SCHEMBL14154320 | 0.68 | CA12 (0.52) | MEN1KMT2ANQO2MTNR1A | |
| SCHEMBL2630615 | 0.68 | CA12 (0.47) | NQO2MTNR1ACNR2 | |
| SCHEMBL2630618 | 0.68 | CA12 (0.48) | NQO2MTNR1ACNR2 |
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 |