Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 5/20 | 0.53 |
| ▸ | MMP2 | P08253 | 5/20 | 0.53 |
| ▸ | MMP9 | P14780 | 5/20 | 0.53 |
| ▸ | EGFR | P00533 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL4268646 | 0.85 | MMP1 (0.56) | MMP1MMP2MMP9EGFRNPC1 | |
| SCHEMBL4412018 | 0.83 | MMP1 (0.53) | MMP1MMP2MMP9EGFRNPC1 | |
| SCHEMBL4418306 | 0.79 | MMP1 (0.53) | MMP1MMP2MMP9EGFRNPC1 | |
| SCHEMBL4263459 | 0.78 | MMP1 (0.56) | MMP1MMP2MMP9EGFRNPC1 | |
| SCHEMBL4264174 | 0.76 | ESR1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL4551139 | 0.76 | ESR1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL4267886 | 0.76 | ALDH1A1 (0.47) | SMN1; SMN2MAPTKDM4EMEN1KMT2A | |
| SCHEMBL4552432 | 0.76 | MAPT (0.43) | MMP1MMP2MMP9EGFRNPC1 | |
| SCHEMBL4429251 | 0.75 | EGFR (0.49) | EGFRMAPTLMNAKMT2AESR1 | |
| SCHEMBL4410001 | 0.75 | MMP1 (0.53) | MMP1MMP2MMP9NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | claimed |
| WO-2009110002-A1 | NOVEL EFFLUX PUMP INHIBITORS | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2009-09-11 | — | — | WO | disclosed |