Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MIF | P14174 | 2/20 | 0.35 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 4/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17037986 | 0.86 | KDM4E (0.31) | MIFKDM4EGLAGAA | |
| SCHEMBL17040481 | 0.81 | MIF (0.41) | MIFNPC1CASP3RAB9ASENP8 | |
| SCHEMBL17040378 | 0.80 | CYP3A4 (0.38) | CYP3A4MIFPFKFB3MAOBCA12 | |
| SCHEMBL17040376 | 0.77 | CYP3A4 (0.34) | CYP3A4MIFPFKFB3MAOBNPC1 | |
| SCHEMBL17040468 | 0.74 | KDM4E (0.31) | ALDH1A1KDM4E | |
| SCHEMBL17037919 | 0.72 | CHAT (0.35) | NPC1RAB9A | |
| SCHEMBL17026676 | 0.72 | MIF (0.62) | CYP3A4MIFPFKFB3MAOBCA12 | |
| SCHEMBL26987435 | 0.72 | MIF (0.62) | CYP3A4MIFPFKFB3MAOBCA12 | |
| SCHEMBL5302495 | 0.71 | MAOB (0.63) | CYP3A4MAOBCA12CA2CA3 | |
| SCHEMBL5302491 | 0.71 | MAOB (0.63) | CYP3A4MAOBCA12CA2CA3 |
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-9547009-B2 | Benzocyclooctyne compounds and uses thereof | ACADEMIA SINICA (TW) | 2017-01-17 | — | — | US | disclosed |
| US-20150241439-A1 | BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF | ACADEMIA SINICA (TW) | 2015-08-27 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150241439-A1 | BENZOCYCLOOCTYNE COMPOUNDS AND USES THEREOF | AADAC, TBCA, SPG11 | CYP3A4 2944/4885MIF 3348/4885PFKFB3 1226/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.