Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.56 |
| ▸ | CCR5 | P51681 | 1/20 | 0.56 |
| ▸ | CCR8 | P51685 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | DHODH | Q02127 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6497431 | 0.85 | CCR1 (0.52) | CCR1CCR5CCR8HDAC6DHODH | |
| SCHEMBL9901550 | 0.81 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6DHODH | |
| SCHEMBL8227859 | 0.80 | CCR1 (0.60) | CCR1CCR5CCR8HDAC6IDO1 | |
| SCHEMBL31039981 | 0.79 | CCR1 (0.48) | CCR1CCR5CCR8HDAC6KMT2A | |
| SCHEMBL11957244 | 0.78 | CCR1 (0.58) | CCR1CCR5CCR8HDAC6DHODH | |
| SCHEMBL13134510 | 0.78 | CYP11B1 (0.52) | CCR1CCR5CCR8HDAC6METAP2 | |
| SCHEMBL24513223 | 0.77 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6DHODH | |
| SCHEMBL12320877 | 0.77 | CYP11B1 (0.56) | CCR1CCR5CCR8HDAC6DHODH | |
| SCHEMBL16627983 | 0.77 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6IDO1 | |
| SCHEMBL15006447 | 0.77 | CCR1 (0.56) | CCR1CCR5CCR8HDAC6IDO1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2271622-B1 | Heteroaryl derivatives as CFTR Modulators | VERTEX PHARMA (US) | 2017-10-04 | — | — | EP | disclosed |
| US-9751890-B2 | Heteroaryl derivatives as CFTR modulators | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2017-09-05 | — | — | US | disclosed |
| US-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2017-04-20 | — | — | US | disclosed |
| US-8785445-B2 | 7-phenoxychroman carboxylic acid derivatives | ARRAY BIOPHARMA INC. (US) | 2014-07-22 | — | — | US | disclosed |
| US-20120101103-A1 | 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES | ARRAY BIOPHARMA INC. (US) | 2012-04-26 | — | — | US | disclosed |
| WO-2010075200-A1 | 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES | ARRAY BIOPHARMA INC. (US) | 2010-07-01 | — | — | WO | disclosed |
| WO-2009108657-A2 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-09-03 | — | — | WO | disclosed |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | VERTEX PHARMACEUTICALS INCORPORATED | 2009-09-03 | — | — | 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 (3 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-20170107225-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | CCR1 3364/4885CCR5 1133/4885CCR8 2801/4885 |
| US-20090221597-A1 | HETEROARYL DERIVATIVES AS CFTR MODULATORS | CFTR, ABCB1, ABCD3 | CCR1 3787/4885CCR5 1286/4885CCR8 3220/4885 |
| US-20120101103-A1 | 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES | PTGDR2, PTGDR, HRH2 | CCR1 133/4885CCR5 288/4885CCR8 151/4885 |
“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.