Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.33 |
| ▸ | CCR1 | P32246 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9996000 | 0.67 | TSHR (0.30) | — | |
| SCHEMBL9877494 | 0.59 | MEN1 (0.40) | ALDH1A1MEN1KMT2AMAPTGAA | |
| P-Xylene SCHEMBL27538150 | 0.59 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| P-Xylene SCHEMBL14721484 | 0.59 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL8637321 | 0.58 | TSHR (0.33) | KMT2A | |
| P-Xylene SCHEMBL31036032 | 0.57 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| P-Xylene SCHEMBL4557367 | 0.57 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| P-Xylene SCHEMBL2595392 | 0.57 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MEN1KMT2AMAPT | |
| SCHEMBL8755520 | 0.57 | TSHR (0.50) | ALDH1A1SMN1; SMN2HDAC4MEN1KMT2A | |
| Bicarbonate SCHEMBL1720129 | 0.56 | NPC1 (0.48) | ALDH1A1SMN1; SMN2HDAC4MAPTRAB9A |
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-1056714-A1 | PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-12-06 | — | — | EP | disclosed |
| WO-1999043642-A1 | PHENYLALANINE DERIVATIVES AS INHIBITORS OF ALPHA4 INTEGRINS | CELLTECH THERAPEUTICS LIMITED (GB) | 1999-09-02 | — | — | WO | disclosed |