Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | TACR2 | P21452 | 7/20 | 0.49 |
| ▸ | CNR2 | P34972 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 1/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8060406 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TACR2CNR2MEN1KMT2A | |
| SCHEMBL8065025 | 0.78 | MMP8 (0.50) | ALDH1A1POLB | |
| SCHEMBL8065032 | 0.78 | MMP8 (0.50) | ALDH1A1POLB | |
| SCHEMBL7284529 | 0.77 | ALDH1A1 (0.60) | ALDH1A1TACR2CNR2MEN1KMT2A | |
| SCHEMBL27463051 | 0.76 | ALDH1A1 (0.66) | ALDH1A1MEN1KMT2APOLBCYP1A2 | |
| SCHEMBL4443855 | 0.75 | MMP9 (0.49) | KMT2A | |
| SCHEMBL4443858 | 0.75 | MMP9 (0.49) | KMT2A | |
| SCHEMBL4550561 | 0.75 | MMP9 (0.44) | ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL4550562 | 0.75 | MMP9 (0.44) | ALDH1A1POLBCYP2C9CYP2C19 | |
| SCHEMBL6428465 | 0.75 | ALDH1A1 (0.55) | ALDH1A1TACR2CNR2MEN1KMT2A |
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-1000051-A1 | CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999006390-A1 | CARBAMYLOXY COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |