Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF20A | O95235 | 1/20 | 0.48 |
| ▸ | FDPS | P14324 | 1/20 | 0.47 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | FPR1 | P21462 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2928425 | 1.00 | KIF20A (0.48) | KIF20AFDPSCHRNA7LMNACYP2A6 | |
| SCHEMBL3756927 | 0.82 | CYP2A6 (0.57) | CYP2A6CYP2D6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL694048 | 0.82 | FDPS (0.51) | FDPSCHRNA7CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL1696723 | 0.82 | FDPS (0.51) | FDPSCHRNA7CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL2264768 | 0.82 | FDPS (0.51) | FDPSCHRNA7CYP2A6CYP2D6CYP1A2 | |
| SCHEMBL200084 | 0.79 | FDPS (0.51) | KIF20AFDPSCHRNA7LMNACYP2A6 | |
| SCHEMBL2927949 | 0.77 | LOXL2 (0.43) | CYP2D6CYP1A2HRH1CYP3A4SLC6A2 | |
| SCHEMBL6751233 | 0.77 | LOXL2 (0.43) | CYP2D6CYP1A2HRH1CYP3A4SLC6A2 | |
| SCHEMBL2921309 | 0.77 | EPHX1 (0.56) | CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1598678 | 0.77 | EPHX1 (0.56) | CYP2A6CYP2D6SLC6A2SLC6A4SLC6A3 |
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-6759428-B2 | SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS | ROCHE PALO ALTO LLC | 2004-07-06 | — | — | US | disclosed |
| US-20040077646-A1 | Indole nitriles | ROCHE PALO ALTO LLC | 2004-04-22 | — | — | 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-20040077646-A1 | Indole nitriles | TPH1, IDO1, NAT1 | KIF20A 3765/4885FDPS 4729/4885CHRNA7 1619/4885 |
“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.