Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17928317 | 0.77 | ALDH1A1 (0.31) | POLBALDH1A1MAPTKDM4E | |
| SCHEMBL18655548 | 0.76 | IDO1 (0.36) | MTNR1A | |
| SCHEMBL18650377 | 0.75 | IDO1 (0.40) | — | |
| SCHEMBL18650387 | 0.75 | ALDH1A1 (0.34) | ALDH1A1TSHRGAAMAPTKDM4E | |
| SCHEMBL18650362 | 0.73 | TACR1 (0.38) | MTNR1AALDH1A1TSHRKDM4ELMNA | |
| SCHEMBL8085256 | 0.69 | RAB9A (0.53) | ALDH1A1TSHRGAAMAPTLMNA | |
| SCHEMBL17938444 | 0.69 | NPC1 (0.49) | ALDH1A1TSHRGAAMAPTKDM4E | |
| SCHEMBL4231829 | 0.69 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4EKMT2AL3MBTL1 | |
| SCHEMBL8085274 | 0.68 | KMT2A (0.54) | KMT2APTGER4 | |
| SCHEMBL112859 | 0.68 | ALDH1A1 (0.64) | ALDH1A1TSHRMAPTKMT2AL3MBTL1 |
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-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | NGUYEN MARK QUANG (US) | 2016-12-15 | — | — | US | disclosed |
| US-9394312-B1 | Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2016-07-19 | — | — | 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-20160361315-A1 | IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE | BTK, SYK, BCL9 | MTNR1A 4367/4885POLB 2821/4885ALDH1A1 2864/4885 |
“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.