Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ANPEP | P15144 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4952911 | 1.00 | ALDH1A1 (0.46) | ALDH1A1HPGDSMN1; SMN2LMNAPKM | |
| SCHEMBL8761 | 0.76 | TSHR (0.64) | ALDH1A1HPGDSMN1; SMN2TSHRKMT2A | |
| SCHEMBL17403338 | 0.76 | TSHR (0.64) | ALDH1A1HPGDSMN1; SMN2TSHRKMT2A | |
| SCHEMBL7666020 | 0.75 | MTNR1A (0.54) | KMT2AMEN1 | |
| SCHEMBL7598869 | 0.74 | TSHR (0.51) | ALDH1A1HPGDSMN1; SMN2LMNAPKM | |
| SCHEMBL8542713 | 0.73 | TSHR (0.44) | ALDH1A1TSHRCYP2C9CYP2C19KMT2A | |
| SCHEMBL4243719 | 0.72 | KMT2A (0.41) | ALDH1A1HPGDSMN1; SMN2TAAR1TSHR | |
| SCHEMBL17152612 | 0.72 | ALDH1A1 (0.50) | ALDH1A1HPGDSMN1; SMN2LMNATSHR | |
| SCHEMBL3928178 | 0.72 | LTB4R (0.52) | ALDH1A1HPGDSMN1; SMN2LMNAPKM | |
| SCHEMBL4324015 | 0.72 | L3MBTL1 (0.59) | ALDH1A1HPGDSMN1; SMN2LMNAPKM |
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-1758920-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2007-03-07 | — | — | EP | disclosed |
| WO-2005113579-A1 | BACTERIAL EFFLUX PUMP INHIBITORS AND METHODS OF TREATING BACTERIAL INFECTIONS | MPEX PHARMACEUTICALS, INC. (US) | 2005-12-01 | — | — | WO | disclosed |