Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 6/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 1/20 | 0.35 |
| ▸ | PTPRC | P08575 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2768935 | 0.93 | PARP1 (0.53) | PARP1BRD4CYP2A6MAOAMAOB | |
| Urea SCHEMBL6754151 | 0.86 | BRD4 (0.48) | PARP1BRD4CYP2A6MAOAMAOB | |
| SCHEMBL2480404 | 0.81 | PARP1 (0.56) | PARP1BRD4CYP2A6MAOAMAOB | |
| SCHEMBL7555603 | 0.75 | BRD4 (0.42) | PARP1BRD4ADRB2ADRB1ADRB3 | |
| SCHEMBL11741399 | 0.75 | CYP2A6 (0.46) | BRD4CYP2A6MAOAMAOBMRGPRX4 | |
| SCHEMBL1151194 | 0.72 | PARP1 (0.55) | PARP1BRD4CYP2A6MAOAMAOB | |
| SCHEMBL5540741 | 0.72 | MAOA (0.50) | BRD4CYP2A6MAOAMAOBMRGPRX4 | |
| SCHEMBL29501042 | 0.72 | PARP1 (0.55) | PARP1BRD4CYP2A6MAOAMAOB | |
| SCHEMBL8502152 | 0.71 | PARP1 (0.48) | PARP1BRD4MAOATSHRPTPRC | |
| SCHEMBL22479791 | 0.71 | MAOA (0.48) | BRD4CYP2A6MAOAMAOBMRGPRX4 |
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-6706924-B2 | INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | claimed |
| US-20020103401-A1 | Process for the production of 1,5-naphthalenediamine | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-01 | — | — | US | claimed |
| US-6706924-B2 | INCLUDES A STEP IN WHICH ORTHO-NITROTOLUENE IS REACTED WITH ONE OR MORE ACRYLIC ACID DERIVATIVES SUCH AS ACRYLONITRILE | BAYER AKTIENGESELLSCHAFT (DE) | 2004-03-16 | — | — | US | disclosed |
| US-20020103401-A1 | Process for the production of 1,5-naphthalenediamine | BAYER AKTIENGESELLSCHAFT (DE) | 2002-08-01 | — | — | 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-20020103401-A1 | Process for the production of 1,5-naphthalenediamine | BBOX1, CYP4B1, NAT1 | PARP1 1388/4885BRD4 165/4885CYP2A6 404/4885 |
“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.