Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | TERT | O14746 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYSLTR2 | Q9NS75 | 3/20 | 0.43 |
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5865124 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C9MAOBTERTKDM4E | |
| SCHEMBL5865056 | 0.85 | KDM4E (0.48) | CYP1A2CYP2C9MAOBTERTKDM4E | |
| SCHEMBL5865243 | 0.85 | KDM4E (0.48) | CYP1A2CYP2C9MAOBTERTKDM4E | |
| SCHEMBL2597811 | 0.84 | GRM4 (0.61) | CYP1A2CYP2C9KDM4EALOX15TSHR | |
| SCHEMBL2597810 | 0.84 | GRM4 (0.61) | CYP1A2CYP2C9KDM4EALOX15TSHR | |
| SCHEMBL5865509 | 0.84 | TERT (0.47) | CYP1A2TERTKDM4EALOX15TSHR | |
| SCHEMBL5865333 | 0.84 | TERT (0.47) | CYP1A2TERTKDM4EALOX15TSHR | |
| SCHEMBL5865030 | 0.82 | NFE2L2 (0.53) | KDM4EALOX15TSHRACMSDTDP1 | |
| SCHEMBL5865025 | 0.82 | NFE2L2 (0.53) | KDM4EALOX15TSHRACMSDTDP1 | |
| SCHEMBL5864893 | 0.79 | P4HB (0.48) | MAOBMEN1KMT2ANPC1RAB9A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7034044-B2 | Conjugated aromatic compounds with a pyridine substituent | HOFFMANN-LA ROCHE INC. (US) | 2006-04-25 | — | — | US | disclosed |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER | 2006-03-16 | — | — | US | disclosed |
| US-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | ALANINE ALEXANDER (FR) | 2004-04-08 | — | — | 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 (2 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-20040068118-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN1, GRIN2C | CYP1A2 858/4885CYP2C9 1207/4885MAOB 249/4885 |
| US-20060058354-A1 | Conjugated aromatic compounds with a pyridine substituent | GRIN2B, GRIN3A, GRIN2C | CYP1A2 1135/4885CYP2C9 1512/4885MAOB 215/4885 |
“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.