Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MTNR1A | P48039 | 3/20 | 0.44 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29424444 | 0.89 | CYP2C9 (0.45) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL5357518 | 0.89 | CYP2C9 (0.45) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6205852 | 0.88 | CYP2C9 (0.46) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8190988 | 0.85 | PPIA (0.42) | CYP2C9PTGER1HDAC1BRD4 | |
| SCHEMBL8321616 | 0.80 | SMN1; SMN2 (0.47) | KDM4EALDH1A1MTNR1AMTNR1BLRRK2 | |
| SCHEMBL2993578 | 0.80 | TACR3 (0.46) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL5865085 | 0.79 | CYP2C9 (0.43) | CYP2C9PTGER1SMN1; SMN2BRD4 | |
| SCHEMBL15014407 | 0.79 | CYP2C9 (0.48) | CYP2C9CYP2C19PTGER1SMN1; SMN2NPC1 | |
| SCHEMBL16521346 | 0.78 | TDP1 (0.44) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL6627247 | 0.77 | PPIA (0.41) | KDM4ECYP2C9ALDH1A1CYP1A2CYP2C19 |
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-0888301-B1 | MCBI ANALOGS OF CC-1065 AND THE DUOCARMYCINS | SCRIPPS RESEARCH INST (US) | 2005-08-10 | — | — | EP | disclosed |
| US-5985908-A | MCBI (7-METHOXY-1,2,9A-TETRA-HYDROCYCLOPROPA(C)BENZ(E)INDOL-4-ONE) IS EMPLOYABLE AS A DNA ALKYLATING AGENT AND CAN BE INCORPORATED INTO ANALOGS OF CC-1065 AND THE DUOCARMYCINS FOR | THE SCRIPPS RESEARCH INSTITUTE (US) | 1999-11-16 | — | — | US | disclosed |