Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | NPC1 | O15118 | 1/20 | 0.68 |
| ▸ | RAB9A | P51151 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | ATM | Q13315 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | GUSB | P08236 | 2/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6172271 | 0.87 | RAB9A (0.51) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6170201 | 0.81 | NPC1 (0.62) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6170426 | 0.75 | KMT2A (0.71) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6808565 | 0.74 | ALDH1A1 (0.65) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL8918232 | 0.73 | ALDH1A1 (0.65) | KDM4EHPGDALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL31611895 | 0.73 | NPC1 (0.63) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL6169452 | 0.70 | NPC1 (0.56) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL1888768 | 0.69 | IDO1 (0.55) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL1352655 | 0.69 | MEN1 (0.61) | MEN1NPC1RAB9AKMT2AATM | |
| SCHEMBL5542051 | 0.69 | RAB9A (0.78) | MEN1NPC1RAB9AKMT2AATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0695752-B1 | ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIV MADRID COMPLUTENSE (ES) | 2001-06-06 | — | — | EP | disclosed |
| US-5716963-A | DIAZAQUINOMYCIN DERIVATIVE | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1998-02-10 | — | — | US | disclosed |
| EP-0695752-A1 | NEW ANTHRAQUINONIC DERIVATIVES HAVING AN ANTITUMOR ACTIVITY, AND APPLICATIONS THEREOF | UNIVERSIDAD COMPLUTENSE DE MADRID (ES) | 1996-02-07 | — | — | EP | disclosed |