Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TASP1 | Q9H6P5 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 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 | |
|---|---|---|---|---|
| SCHEMBL5946305 | 0.89 | ESR1 (0.32) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL12990789 | 0.88 | ALDH1A1 (0.39) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL20412549 | 0.86 | IDO1 (0.46) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL13687805 | 0.86 | IDO1 (0.46) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL15071846 | 0.86 | TP53 (0.43) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL18308709 | 0.79 | HRH3 (0.47) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL12214232 | 0.79 | HRH3 (0.47) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL12990941 | 0.76 | — | — | |
| SCHEMBL17070542 | 0.75 | ESR1 (0.41) | ALDH1A1CYP3A4TSHRTDP1ESR1 | |
| SCHEMBL14490617 | 0.73 | — | — |
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-9770515-B2 | Crosslinking of proteins and other entities via conjugates of α-haloacetophenones, benzyl halides, quinones, and their derivatives | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2017-09-26 | — | — | US | disclosed |
| US-20130165382-A1 | CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES | ADVANCED PROTEOME THERAPEUTICS INC. (US) | 2013-06-27 | — | — | 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-20130165382-A1 | CROSSLINKING OF PROTEINS AND OTHER ENTITIES VIA CONJUGATES OF ALPHA-HALOACETOPHENONES, BENZYL HALIDES, QUINONES, AND THEIR DERIVATIVES | TBCA, HSP90AB2P, HSP90B1 | ALDH1A1 94/4885CYP3A4 1787/4885TSHR 3747/4885 |
“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.