Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | GRM5 | P41594 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.40 |
| ▸ | XBP1 | P17861 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1515201 | 0.94 | NPC1 (0.52) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL1515444 | 0.90 | NPC1 (0.56) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL8487174 | 0.81 | NPC1 (0.47) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL8362176 | 0.79 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL13465724 | 0.73 | NR4A1 (0.49) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL22725570 | 0.73 | NR4A1 (0.49) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL15364576 | 0.72 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2AATM | |
| Cyclohexane SCHEMBL9193794 | 0.71 | RAB9A (0.58) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL14114325 | 0.70 | NR4A1 (0.50) | NPC1RAB9AMEN1KMT2AATM | |
| SCHEMBL5851382 | 0.70 | NR4A1 (0.50) | NPC1RAB9AMEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| US-5622953-A | DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG | BASF AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |
| WO-1994022842-A1 | 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE | BASF AKTIENGESELLSCHAFT (DE) | 1994-10-13 | — | — | WO | disclosed |