Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | PROKR1 | Q8TCW9 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.42 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.41 |
| ▸ | AGTR2 | P50052 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| SCHEMBL5009505 | 0.88 | ALDH1A1 (0.48) | ALDH1A1SMN1; SMN2LTA4HAGTR2HTR2A | |
| SCHEMBL5007409 | 0.87 | AKR1C3 (0.51) | ALDH1A1TSHRHSD17B10LTA4HAGTR2 | |
| SCHEMBL5004398 | 0.79 | ALDH1A1 (0.48) | ALDH1A1KDM2BSMN1; SMN2HTR2AHTR2C | |
| SCHEMBL1587410 | 0.79 | AKR1C3 (0.54) | NPC1RAB9ASLC18A3AGTR2HTR2A | |
| SCHEMBL17124882 | 0.77 | SLC18A3 (0.44) | ALDH1A1KDM2BSMN1; SMN2NPC1TP53 | |
| SCHEMBL6373468 | 0.76 | CYP2D6 (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E | |
| SCHEMBL16015140 | 0.74 | LIPE (0.44) | ALDH1A1SMN1; SMN2NPC1TP53TSHR | |
| SCHEMBL5004123 | 0.73 | OPRM1 (0.44) | ALDH1A1HTR2AHTR2CHRH1HTR2B | |
| SCHEMBL27754827 | 0.72 | SLC6A11 (0.50) | ALDH1A1TP53KDM4EMEN1KMT2A | |
| SCHEMBL15787994 | 0.72 | SLC18A3 (0.53) | ALDH1A1SMN1; SMN2NPC1TP53TSHR |
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-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | PFIZER INC | 2008-11-13 | — | — | 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-20080280879-A1 | SUBSTITUTED HETEROCYCLIC DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS | XDH, CYP2D6, F12 | ALDH1A1 3777/4885KDM2B 3075/4885SMN1; SMN2 4085/4885 |
“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.