Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MC4R | P32245 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11242758 | 0.92 | CYP1A2 (0.49) | NPC1RAB9AHDAC1CYP1A2MC4R | |
| SCHEMBL14490487 | 0.83 | HTT (0.53) | HDAC1GAATSHR | |
| SCHEMBL7511740 | 0.83 | GPR6 (0.46) | NPC1RAB9AHTR2CHTR2BHDAC1 | |
| SCHEMBL1467298 | 0.82 | CTSC (0.53) | CTSCNPC1RAB9AHTR2CHTR2B | |
| Hydrochloric Acid SCHEMBL15251815 | 0.81 | CTSC (0.52) | CTSCNPC1RAB9AHTR2CHTR2B | |
| SCHEMBL8393442 | 0.81 | DPP4 (0.54) | CYP2C19 | |
| SCHEMBL8535632 | 0.81 | DPP4 (0.54) | CYP2C19 | |
| SCHEMBL13570366 | 0.80 | GPR6 (0.49) | NPC1RAB9AGAATSHR | |
| Hydrochloric Acid SCHEMBL27541624 | 0.80 | DPP4 (0.54) | — | |
| SCHEMBL168919 | 0.78 | ELANE (0.54) | CTSCNPC1RAB9AHTR2CHTR2B |
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-0915908-A1 | DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998004581-A1 | DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | BASF AKTIENGESELLSCHAFT (DE) | 1998-02-05 | — | — | WO | disclosed |