Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 1/20 | 0.83 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.81 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.81 |
| ▸ | CASP1 | P29466 | 2/20 | 0.81 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.81 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.81 |
| ▸ | ESR1 | P03372 | 1/20 | 0.81 |
| ▸ | PGR | P06401 | 1/20 | 0.81 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.81 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.81 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.81 |
| ▸ | HTR1A | P08908 | 1/20 | 0.81 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.81 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.81 |
| ▸ | NQO2 | P16083 | 1/20 | 0.81 |
| ▸ | MAOA | P21397 | 1/20 | 0.81 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.81 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.81 |
| ▸ | MAOB | P27338 | 1/20 | 0.81 |
| ▸ | PDE4A | P27815 | 1/20 | 0.81 |
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 | |
|---|---|---|---|---|
| SCHEMBL18400690 | 0.91 | IDO1 (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| SCHEMBL17704777 | 0.91 | IDO1 (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL22208 | 0.89 | KDM4E (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| SCHEMBL13064134 | 0.89 | IDO1 (0.93) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL12599100 | 0.89 | KDM4E (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL22207 | 0.89 | KDM4E (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL29409423 | 0.89 | KDM4E (1.00) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL6333949 | 0.88 | KDM4E (0.98) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL979493 | 0.88 | KDM4E (0.98) | IDO1KDM4ECYP1A2CASP1ALDH1A1 | |
| Primaquine SCHEMBL4959404 | 0.88 | KDM4E (0.98) | IDO1KDM4ECYP1A2CASP1ALDH1A1 |
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-9551721-B2 | Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-01-24 | — | — | US | disclosed |
| US-9551721-B2 | Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-01-24 | — | — | US | disclosed |