Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DNM2 | P50570 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.34 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13630788 | 0.94 | ALDH1A1 (0.58) | ALDH1A1HPGDHSP90AA1HSP90AB1TSHR | |
| SCHEMBL18462183 | 0.86 | ALDH1A1 (0.62) | ALDH1A1HPGDMEN1NPC1RAB9A | |
| SCHEMBL23081588 | 0.79 | CYP2C19 (0.54) | ALDH1A1TSHRNPC1RAB9AKDM4E | |
| SCHEMBL658589 | 0.78 | ALDH1A1 (0.62) | ALDH1A1HPGDNPC1KMT2ADNM2 | |
| SCHEMBL10532570 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HPGDKMT2AALOX12DNM2 | |
| SCHEMBL23610609 | 0.76 | ALDH1A1 (0.60) | ALDH1A1HPGDKMT2AALOX12DNM2 | |
| SCHEMBL6490227 | 0.75 | ALDH1A1 (0.65) | ALDH1A1HPGDNPC1DNM2HRH4 | |
| SCHEMBL23107659 | 0.74 | ALDH1A1 (0.62) | ALDH1A1HPGDTSHRKMT2AKDM4E | |
| SCHEMBL8348328 | 0.74 | ALDH1A1 (0.70) | ALDH1A1HPGDHSP90AA1HSP90AB1 | |
| SCHEMBL15471171 | 0.73 | ALDH1A1 (0.56) | ALDH1A1HPGDSLC47A1DNM2HRH4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | METASTATIX, INC. | 2008-10-23 | — | — | 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-20080261978-A1 | treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea | MKI67, CCNI, CDKN1A | ALDH1A1 423/4885HPGD 873/4885HSP90AA1 3204/4885 |
“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.