Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL265376 | 0.90 | ALDH1A1 (0.47) | ALDH1A1TAAR1L3MBTL1CYP1A2SMN1; SMN2 | |
| SCHEMBL7674816 | 0.79 | HTR2C (0.38) | CYP11B1CYP11B2MPOCNR2CNR1 | |
| SCHEMBL17537258 | 0.78 | NR4A2 (0.42) | ALDH1A1TSHRMEN1HPGDKMT2A | |
| SCHEMBL7672911 | 0.75 | MBOAT4 (0.44) | TAAR1TRPV1 | |
| SCHEMBL7675792 | 0.75 | CYP19A1 (0.44) | ALDH1A1CYP11B1CYP11B2CYP1A2HPGD | |
| SCHEMBL6924869 | 0.75 | MAPKAPK2 (0.42) | ALDH1A1L3MBTL1CYP1A2SMN1; SMN2RAB9A | |
| SCHEMBL3260707 | 0.74 | NR1H2 (0.46) | ALDH1A1TSHRL3MBTL1CYP1A2SMN1; SMN2 | |
| SCHEMBL17898217 | 0.74 | KCNH2 (0.57) | ALDH1A1CYP1A2SMN1; SMN2RAB9AMEN1 | |
| SCHEMBL3410050 | 0.73 | PNMT (0.43) | CYP11B1CYP11B2TAAR1MPO | |
| SCHEMBL118923 | 0.73 | L3MBTL1 (0.65) | ALDH1A1TSHRTAAR1L3MBTL1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6319922-B1 | ALPHA-PYRIMIDYL-SUBSTITUTED; USEFUL FOR TREATING DISEASES INCLUDING INFLAMMATORY DISEASES, AND DISEASES INVOLVING ANGIOGENESIS, BONE RESORPTION OR CELLULAR OR MATRIX OVER-EXPANSION. | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-11-20 | — | — | US | disclosed |
| EP-1133488-A1 | PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2001-09-19 | — | — | EP | disclosed |
| WO-2000031067-A1 | PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS | CELLTECH THERAPEUTICS LIMITED (GB) | 2000-06-02 | — | — | WO | disclosed |