Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 4/20 | 0.53 |
| ▸ | MMP2 | P08253 | 4/20 | 0.53 |
| ▸ | MMP9 | P14780 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4267886 | 0.82 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E | |
| SCHEMBL4429251 | 0.81 | EGFR (0.49) | LMNAKMT2AESR1HDAC3HDAC1 | |
| SCHEMBL4551139 | 0.80 | ESR1 (0.50) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL4264174 | 0.80 | ESR1 (0.50) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| Diethylamine SCHEMBL4562983 | 0.77 | MAPT (0.43) | ALDH1A1SMN1; SMN2KMT2AMEN1KDM4E | |
| Diphenylamine SCHEMBL4414722 | 0.76 | ESR1 (0.44) | LMNASMN1; SMN2KMT2AMEN1ESR1 | |
| Formanilide SCHEMBL4264442 | 0.76 | EGFR (0.44) | LMNAKMT2AHDAC3HDAC1HDAC2 | |
| SCHEMBL4412018 | 0.75 | MMP1 (0.53) | MMP1MMP2MMP9ALDH1A1LMNA | |
| SCHEMBL4268486 | 0.75 | MMP1 (0.53) | MMP1MMP2MMP9ALDH1A1LMNA | |
| SCHEMBL4418306 | 0.75 | MMP1 (0.53) | MMP1MMP2MMP9SMN1; SMN2KDM4E |
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 1 patent. 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 | disclosed |