Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.42 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | POLA1 | P09884 | 2/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 3/20 | 0.33 |
| ▸ | PRKDC | P78527 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6402101 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL6400790 | 0.87 | TACR1 (0.44) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL6406585 | 0.87 | TACR1 (0.44) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL6400684 | 0.87 | TACR1 (0.44) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL6401662 | 0.85 | ALDH1A1 (0.43) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL6400844 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TACR1CYP2D6GAASMN1; SMN2 | |
| SCHEMBL7530892 | 0.74 | ALDH1A1 (0.41) | ALDH1A1GAASMN1; SMN2KDM4ETSHR | |
| SCHEMBL17591321 | 0.72 | PDK2 (0.42) | ALDH1A1TACR1CYP2D6MAPK1POLA1 | |
| SCHEMBL6401340 | 0.71 | PDK2 (0.41) | ALDH1A1TACR1CYP2D6ESR1 | |
| SCHEMBL6403380 | 0.71 | PDK2 (0.41) | ALDH1A1TACR1CYP2D6ESR1 |
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-20030208079-A1 | Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists | PFIZER INC. | 2003-11-06 | — | — | US | claimed |
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-20030208079-A1 | Piperidinylaminomethyl trifluoromethyl cyclic ether compounds as substance P antagonists | TACR1, HRH2, GRPR | ALDH1A1 308/4885TACR1 1/4885CYP2D6 451/4885 |
“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.