Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HEXA | P06865 | 1/20 | 0.46 |
| ▸ | HEXB | P07686 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 5/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 5/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | ATR | Q13535 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10305022 | 0.85 | HEXA (0.54) | HEXAHEXBPDCD1CD274IDO1 | |
| SCHEMBL26328027 | 0.84 | PDCD1 (0.40) | HEXAHEXBPDCD1CD274PRKDC | |
| SCHEMBL6349429 | 0.80 | PDCD1 (0.45) | PDCD1CD274ATRALDH1A1TLR8 | |
| SCHEMBL6356399 | 0.77 | NPC1 (0.47) | HEXAHEXBALDH1A1MAPTMEN1 | |
| SCHEMBL3424160 | 0.75 | IDO1 (0.55) | IDO1METAP2PRKDCATRALDH1A1 | |
| SCHEMBL6410531 | 0.74 | IDO1 (0.47) | IDO1METAP2PRKDCATRALDH1A1 | |
| SCHEMBL9453979 | 0.73 | ALDH1A1 (0.66) | IDO1METAP2PRKDCATRALDH1A1 | |
| SCHEMBL28174453 | 0.71 | ATR (0.56) | HEXAHEXBIDO1METAP2PRKDC | |
| Hydrochloric Acid SCHEMBL28048607 | 0.71 | ALDH1A1 (0.64) | IDO1METAP2PRKDCATRALDH1A1 | |
| SCHEMBL16801759 | 0.70 | NPC1 (0.44) | PDCD1CD274IDO1METAP2ALDH1A1 |
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-20050176721-A1 | 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines | HUANG JIANHUA (US) | 2005-08-11 | — | — | US | disclosed |
| US-6887875-B2 | Bind with high selectivity and/ or high affinity to CRF1 receptors (Corticotropin Releasing Factor 1 Receptors), useful for treating psychiatric and neurological diseases, including depression, anxiety and post trauma stress | NEUROGEN CORPORATION (US) | 2005-05-03 | — | — | 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-20050176721-A1 | 2,5-Diarylpyrazines, 2,5-diarylpyridines and 2,5-diarylprimidines | CRHR2, CRHR1, CRH | HEXA 3069/4885HEXB 3054/4885PDCD1 1227/4885 |
“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.