Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NOX1 | Q9Y5S8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL1803265 | 0.80 | — | — | |
| Propionic Acid SCHEMBL10618056 | 0.72 | CYP3A4 (0.57) | CYP3A4TDP1CES2CES1ESR1 | |
| Propionic Acid SCHEMBL11597979 | 0.70 | CYP3A4 (0.55) | CYP3A4TDP1CES2CES1ESR1 | |
| Butanone SCHEMBL28691940 | 0.70 | TDP1 (0.55) | CYP3A4TDP1CES2CES1ESR1 | |
| SCHEMBL28046419 | 0.70 | CYP3A4 (0.55) | CYP3A4TDP1CES2CES1ESR1 | |
| SCHEMBL4741132 | 0.70 | CYP3A4 (0.55) | CYP3A4TDP1CES2CES1ESR1 | |
| Propionic Acid SCHEMBL6930540 | 0.70 | CYP3A4 (0.55) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL30626103 | 0.69 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL29980367 | 0.69 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 | |
| Acetic Acid SCHEMBL30524941 | 0.69 | CYP3A4 (0.60) | CYP3A4TDP1CES2CES1ESR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040131551-A1 | Enhanced relaxivity monomeric and multimeric compounds | BRISTOL-MYERS SQUIBB COMPANY | 2004-07-08 | — | — | US | disclosed |
| US-6693190-B1 | TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS | BRACCO INTERNATIONAL B.V. (NL) | 2004-02-17 | — | — | US | disclosed |
| EP-0708761-A1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO International B.V. (NL) | 1996-05-01 | — | — | EP | disclosed |
| WO-1995031444-A1 | ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS | BRACCO INTERNATIONAL B.V. (NL) | 1995-11-23 | — | — | WO | 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-20040131551-A1 | Enhanced relaxivity monomeric and multimeric compounds | H1-2, H1-0, H1-3 | CYP3A4 3246/4885TDP1 2862/4885CES2 2820/4885 |
“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.