Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FOS | P01100 | 4/20 | 0.53 |
| ▸ | JUN | P05412 | 4/20 | 0.53 |
| ▸ | NFKB1 | P19838 | 4/20 | 0.53 |
| ▸ | NFKB2 | Q00653 | 4/20 | 0.53 |
| ▸ | RELA | Q04206 | 4/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.41 |
| ▸ | SYK | P43405 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15624862 | 0.80 | ALDH1A1 (0.60) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL19320623 | 0.79 | FOS (0.58) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL10400985 | 0.78 | FOS (0.60) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL1627061 | 0.74 | FOS (0.53) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL1669574 | 0.74 | RAB9A (0.56) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL30996914 | 0.74 | RAB9A (0.56) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL959574 | 0.72 | CSNK1D (0.54) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL9496451 | 0.72 | ALDH1A1 (0.51) | FOSJUNNFKB1NFKB2RELA | |
| SCHEMBL6604256 | 0.71 | SMN1; SMN2 (0.63) | NFKB1NFKB2RELAKDM4EALDH1A1 | |
| SCHEMBL427402 | 0.71 | ALDH1A1 (0.63) | FOSJUNNFKB1NFKB2RELA |
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-20180051022-A1 | DEUTERATED PALBOCICLIB | CONCERT PHARMACEUTICALS, INC. | 2018-02-22 | — | — | US | disclosed |
| US-20160024084-A1 | DEUTERATED PALBOCICLIB | CONCERT PHARMACEUTICALS, INC. | 2016-01-28 | — | — | 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 (2 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-20160024084-A1 | DEUTERATED PALBOCICLIB | CDK4, CDK6, CDK3 | FOS 2180/4885JUN 1229/4885NFKB1 1168/4885 |
| US-20180051022-A1 | DEUTERATED PALBOCICLIB | CDK4, CDK6, CDK3 | FOS 1957/4885JUN 1512/4885NFKB1 963/4885 |
“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.