Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.49 |
| ▸ | CTSS | P25774 | 4/20 | 0.41 |
| ▸ | CTSK | P43235 | 4/20 | 0.41 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | PGK1 | P00558 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 4/20 | 0.36 |
| ▸ | BCHE | P06276 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14909350 | 0.85 | KHK (0.54) | KHKPGK1ALDH1A1PKMCYP1A2 | |
| SCHEMBL12252119 | 0.83 | CTSS (0.34) | KHKCTSSCTSKCTSLPGK1 | |
| SCHEMBL14927613 | 0.81 | KHK (0.50) | KHKPGK1ALDH1A1ACHEBCHE | |
| SCHEMBL7857463 | 0.81 | KHK (0.53) | KHKPGK1ALDH1A1ACHEBCHE | |
| SCHEMBL14437601 | 0.81 | CTSS (0.33) | KHKCTSSCTSKCTSLPGK1 | |
| SCHEMBL14923677 | 0.79 | KHK (0.55) | KHKPGK1ALDH1A1ACHEBCHE | |
| SCHEMBL18926214 | 0.78 | KHK (0.61) | KHKPGK1ALDH1A1ACHEBCHE | |
| SCHEMBL1400633 | 0.76 | KHK (0.48) | KHKALDH1A1ACHEBCHEPKM | |
| SCHEMBL14928602 | 0.76 | KHK (0.44) | KHKPGK1ALDH1A1ACHEBCHE | |
| SCHEMBL1400540 | 0.76 | KHK (0.39) | KHKPGK1ALDH1A1ACHEBCHE |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8044040-B2 | e.g. 3-{3-Cyano-6-[(2,2-dimethyl-propyl)-methyl-amino]-5-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide; via p38 kinase inhibition; (anilino)(halo)pyrimidine or (anilino)(amino)pyrimidine derivatives; rheumatoid arthritis, psoriasis, Crohn's Disease, osteoarthritis or osteoporosis | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-25 | — | — | US | disclosed |
| US-8044040-B2 | e.g. 3-{3-Cyano-6-[(2,2-dimethyl-propyl)-methyl-amino]-5-fluoro-pyridin-2-ylamino}-N-methoxy-4-methyl-benzamide; via p38 kinase inhibition; (anilino)(halo)pyrimidine or (anilino)(amino)pyrimidine derivatives; rheumatoid arthritis, psoriasis, Crohn's Disease, osteoarthritis or osteoporosis | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-10-25 | — | — | US | disclosed |
| US-20080015185-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-17 | — | — | US | disclosed |
| US-20080015185-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-17 | — | — | US | disclosed |
| US-7253174-B2 | N-heterocyclic inhibitors of TNF-α expression | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-07 | — | — | US | disclosed |
| US-7253174-B2 | N-heterocyclic inhibitors of TNF-α expression | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-08-07 | — | — | US | disclosed |
| US-20060276488-A1 | N-heterocyclic inhibitors of TNF-alpha expression | BRISTOL-MYERS SQUIBB COMPANY | 2006-12-07 | — | — | US | disclosed |
| US-20030139435-A1 | N-heterocyclic inhibitors of TNF-alpha expression | BRISTOL-MYERS SQUIBB COMPANY | 2003-07-24 | — | — | 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 (3 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-20080015185-A1 | N-HETEROCYCLIC INHIBITORS OF TNF-ALPHA EXPRESSION | TNF, RELA, NFKBIA | KHK 3293/4885CTSS 2933/4885CTSK 2447/4885 |
| US-20030139435-A1 | N-heterocyclic inhibitors of TNF-alpha expression | TNF, NFKBIA, TNFRSF1A | KHK 3409/4885CTSS 2928/4885CTSK 2564/4885 |
| US-20060276488-A1 | N-heterocyclic inhibitors of TNF-alpha expression | TNF, RELA, NFKBIA | KHK 3293/4885CTSS 2933/4885CTSK 2447/4885 |
“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.