Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | AVPR1B | P47901 | 8/20 | 0.38 |
| ▸ | CCR2 | P41597 | 1/20 | 0.37 |
| ▸ | F10 | P00742 | 1/20 | 0.36 |
| ▸ | CCR9 | P51686 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL3603674 | 0.91 | MTNR1A (0.41) | NPC1RAB9ACNR1AVPR1BMMP13 | |
| SCHEMBL3599501 | 0.84 | GPR35 (0.38) | GPR35CCR2F10CCR9KDM4E | |
| SCHEMBL3602467 | 0.82 | KDM4E (0.46) | NPC1RAB9ACNR1KDM4EALDH1A1 | |
| SCHEMBL3591928 | 0.81 | GRIN2B (0.46) | NPC1RAB9ACNR1KDM4EALDH1A1 | |
| SCHEMBL3586855 | 0.80 | BRD4 (0.44) | NPC1RAB9ACNR1KDM4EALDH1A1 | |
| SCHEMBL3586999 | 0.80 | KMT2A (0.49) | NPC1RAB9ALMNA | |
| SCHEMBL3596258 | 0.80 | NPC1 (0.47) | NPC1RAB9ACNR1 | |
| SCHEMBL13115992 | 0.77 | HPGD (0.38) | F10KDM4EALDH1A1TSHRMAPK1 | |
| SCHEMBL3604146 | 0.76 | KDM4E (0.45) | NPC1RAB9AKDM4EALDH1A1LMNA | |
| SCHEMBL3591120 | 0.76 | KDM4E (0.47) | KDM4EALDH1A1LMNATSHR |
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-7807704-B2 | Bicyclic, nitrogen-containing compounds modulating CXCR4 and/or CCXCKR2 | CHEMOCENTRYX, INC. (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070275965-A1 | CXCR4 modulators | CHEMOCENTRYX, INC. (US) | 2007-11-29 | — | — | 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-20070275965-A1 | CXCR4 modulators | CXCL12, CXCR4, CXCR1 | NPC1 334/4885RAB9A 602/4885GPR35 1339/4885 |
“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.