Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | F11 | P03951 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA3 | P07451 | 1/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA6 | P23280 | 1/20 | 0.34 |
| ▸ | CA5A | P35218 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL21112668 | 0.99 | CA12 (0.42) | CA12CA9F11ARPOLB | |
| Hydrochloric Acid SCHEMBL21112670 | 0.99 | CA12 (0.42) | CA12CA9F11ARPOLB | |
| SCHEMBL20908215 | 0.83 | CA12 (0.38) | CA12CA9F11ARTP53 | |
| Hydrochloric Acid SCHEMBL29640280 | 0.83 | CA12 (0.37) | CA12CA9F11ARRXFP1 | |
| SCHEMBL762006 | 0.74 | CA12 (0.59) | CA12CA9F11ARPOLB | |
| SCHEMBL21112574 | 0.73 | BRPF1 (0.47) | CA12CA9MEN1KMT2ACYP1A2 | |
| SCHEMBL21112570 | 0.73 | BRPF1 (0.47) | CA12CA9MEN1KMT2ACYP1A2 | |
| Acetic Acid SCHEMBL27456011 | 0.72 | CA12 (0.50) | CA12CA9F11ARMEN1 | |
| SCHEMBL21112536 | 0.70 | CYP1A2 (0.49) | POLBMEN1KMT2ACYP1A2KDM4E | |
| SCHEMBL21112534 | 0.70 | CYP1A2 (0.49) | POLBMEN1KMT2ACYP1A2KDM4E |
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-3694846-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | Gilead Sciences, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019075291-A1 | 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS | GILEAD SCIENCES, INC. (US) | 2019-04-18 | — | — | WO | disclosed |