Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13985967 | 0.84 | SMN1; SMN2 (0.50) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL4516332 | 0.82 | FFAR1 (0.49) | SMN1; SMN2NPC1RAB9AMAPTHTT | |
| SCHEMBL14524832 | 0.82 | PDCD1 (0.57) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13613844 | 0.82 | CD274 (0.38) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| SCHEMBL538898 | 0.77 | PTGS1 (0.53) | HTTSUCNR1RXRARXRBRXRG | |
| SCHEMBL6572213 | 0.76 | PDCD1 (0.69) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL13613966 | 0.76 | CD274 (0.36) | PDCD1CD274SMN1; SMN2NPC1RAB9A | |
| Benzoic Acid 1-Methylethyl Ester SCHEMBL28356777 | 0.74 | PDCD1 (0.74) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL20085556 | 0.73 | PDCD1 (0.59) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL20085587 | 0.73 | PDCD1 (0.59) | PDCD1CD274SMN1; SMN2ALDH1A1NPC1 |
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-7638648-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN INC. (US) | 2009-12-29 | — | — | US | disclosed |
| US-7468391-B2 | Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B | ALLERGAN, INC. (US) | 2008-12-23 | — | — | US | disclosed |
| US-20080004455-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2008-01-03 | — | — | US | disclosed |
| US-7226951-B2 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | ALLERGAN, INC. (US) | 2007-06-05 | — | — | 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-20080004455-A1 | Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same | CYP1A2, CYP2A7, CYP3A7 | PDCD1 4633/4885CD274 4649/4885SMN1; SMN2 4356/4885 |
“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.