Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.76 |
| ▸ | RAB9A | P51151 | 8/20 | 0.76 |
| ▸ | MEN1 | O00255 | 3/20 | 0.66 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.66 |
| ▸ | F2 | P00734 | 1/20 | 0.65 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | TP53 | P04637 | 2/20 | 0.58 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.57 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.54 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.54 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22535186 | 0.86 | NPC1 (0.68) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL13006681 | 0.85 | GAA (0.63) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL24726481 | 0.84 | SIRT2 (0.61) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL10978860 | 0.84 | RAB9A (0.86) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL3689257 | 0.83 | RAB9A (0.83) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL3365984 | 0.83 | RAB9A (0.83) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL16589423 | 0.83 | RAB9A (0.83) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL997866 | 0.82 | RAB9A (0.89) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL29366822 | 0.82 | RAB9A (0.89) | NPC1RAB9AMEN1KMT2AF2 | |
| SCHEMBL10130743 | 0.81 | NPC1 (0.69) | NPC1RAB9AMEN1KMT2AF2 |
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-10800787-B2 | Process for the preparation of acalabrutinib | APOTEX INC. (CA) | 2020-10-13 | — | — | US | disclosed |
| US-9890123-B2 | 6-aminoisoquinoline compounds | AERIE PHARMACEUTICALS, INC. (US) | 2018-02-13 | — | — | 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-10800787-B2 | Process for the preparation of acalabrutinib | ACACA, ACACB, BTK | NPC1 3622/4885RAB9A 1040/4885MEN1 2512/4885 |
“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.