Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.55 |
| ▸ | HTR2C | P28335 | 1/20 | 0.55 |
| ▸ | HTR2B | P41595 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | F2 | P00734 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8393443 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL30179363 | 1.00 | ALDH1A1 (0.59) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL27541627 | 0.99 | ALDH1A1 (0.58) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Glycine SCHEMBL28382745 | 0.95 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL4372721 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL4376564 | 0.94 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL9275345 | 0.88 | POLB (0.57) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| Hydrochloric Acid SCHEMBL9275339 | 0.88 | POLB (0.57) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL12658484 | 0.87 | HTR2C (0.48) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL13263366 | 0.87 | HTR2C (0.48) | ALDH1A1CYP3A4CYP2C9PKMCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832104-A1 | NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996040751-A1 | NOVEL DOLASTATIN DERIVATIVES, THEIR PREPARATION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 1996-12-19 | — | — | WO | disclosed |