Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.60 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL111652 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL12952147 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL27837558 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL18596846 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL10171231 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL12952148 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL10171230 | 1.00 | CYP19A1 (0.60) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL28867274 | 0.98 | CYP19A1 (0.59) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL23255563 | 0.89 | CYP19A1 (0.61) | CYP19A1EPHX1ALDH1A1TSHRMAPT | |
| SCHEMBL3424391 | 0.89 | CYP19A1 (0.61) | CYP19A1EPHX1ALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017100525-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-15 | — | — | WO | disclosed |