Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL21677216 | 0.85 | NPC1 (0.40) | PIN1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL17168999 | 0.85 | NPC1 (0.40) | PIN1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL18636850 | 0.78 | CTSS (0.38) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL21677270 | 0.78 | CTSS (0.38) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL1625075 | 0.78 | PIN1 (0.39) | PIN1NPC1SMN1; SMN2RAB9AALDH1A1 | |
| SCHEMBL12982216 | 0.77 | BACE1 (0.36) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL2588861 | 0.77 | BACE1 (0.36) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL2589641 | 0.77 | BACE1 (0.36) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL12981966 | 0.77 | BACE1 (0.36) | NPC1SMN1; SMN2RAB9AALDH1A1KDM4E | |
| SCHEMBL18113457 | 0.76 | PIN1 (0.45) | PIN1NPC1SMN1; SMN2RAB9AALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 2017-03-16 | — | — | 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-20170073337-A1 | DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY | BACE1, BACE2, APP | PIN1 3003/4885NPC1 236/4885SMN1; SMN2 2423/4885 |
“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.