Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20697131 | 0.80 | KDM4E (0.45) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL31266701 | 0.80 | KDM4E (0.45) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL28449490 | 0.79 | OPRM1 (0.51) | MEN1KMT2AGRIN2BRAB9A | |
| SCHEMBL31630145 | 0.78 | CCR5 (0.45) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL24678312 | 0.77 | KDM4E (0.47) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL383265 | 0.77 | CCR5 (0.47) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL383264 | 0.77 | CCR5 (0.47) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL2144199 | 0.77 | CCR5 (0.47) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL9235731 | 0.76 | CCR5 (0.48) | CCR5KDM4ENPSR1ATMTDP1 | |
| SCHEMBL20575829 | 0.76 | CCR5 (0.50) | CCR5KDM4ENPSR1ATMTDP1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111566089-B | IRE1 small molecule inhibitors | 康奈尔大学 | 2023-11-17 | — | — | CN | disclosed |
| CN-114423753-A | Heterobicyclic amides as CD38 inhibitors | 里邦医疗公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-111566089-A | IRE1 small molecule inhibitor | 康奈尔大学 | 2020-08-21 | — | — | CN | disclosed |