Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 6/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | RAB9A | P51151 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.33 |
| ▸ | HTR3B | O95264 | 1/20 | 0.33 |
| ▸ | HTR3A | P46098 | 1/20 | 0.33 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.33 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | MPI | P34949 | 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 | |
|---|---|---|---|---|
| SCHEMBL919684 | 0.76 | HTR3E (0.48) | CYP2A6CYP1A2MEN1KMT2ANPC1 | |
| SCHEMBL1735291 | 0.76 | NOS3 (0.44) | CYP2A6HTTMAPTLMNATDP1 | |
| SCHEMBL130318 | 0.72 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1ALDH1A1CYP3A4 | |
| SCHEMBL2013278 | 0.66 | ALDH1A1 (0.50) | CYP2A6CYP1A2MAPTTDP1ALDH1A1 | |
| SCHEMBL8873844 | 0.63 | CYP2A6 (1.00) | CYP2A6CYP1A2HTTMAPTLMNA | |
| SCHEMBL29843547 | 0.63 | CYP2A6 (1.00) | CYP2A6CYP1A2HTTMAPTLMNA | |
| SCHEMBL152521 | 0.63 | CYP2A6 (1.00) | CYP2A6CYP1A2HTTMAPTLMNA | |
| SCHEMBL53706 | 0.63 | — | — | |
| SCHEMBL30071035 | 0.63 | CYP2A6 (1.00) | CYP2A6CYP1A2HTTMAPTLMNA | |
| Naphthalene SCHEMBL22408860 | 0.63 | CYP2A6 (0.67) | CYP2A6CYP1A2MAPTLMNAMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1412328-B1 | DOLASTATIN 10 DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | claimed |
| US-20030055002-A1 | Dolastatin 10 derivatives | HOFFMANN-LA ROCHE INC. | 2003-03-20 | — | — | US | claimed |
| EP-1412328-B1 | DOLASTATIN 10 DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | EP | disclosed |
| EP-1412328-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2004-04-28 | — | — | EP | disclosed |
| US-20030055002-A1 | Dolastatin 10 derivatives | HOFFMANN-LA ROCHE INC. | 2003-03-20 | — | — | US | disclosed |
| WO-2003008378-A1 | DOLASTATIN 10 DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2003-01-30 | — | — | WO | 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-20030055002-A1 | Dolastatin 10 derivatives | DAD1, DDOST, NPC1 | CYP2A6 2461/4885CYP1A2 2980/4885HTT 4842/4885 |
“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.