Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7454090 | 1.00 | NAPRT (0.47) | NAPRTKDM4EPOLBALDH1A1PKM | |
| SCHEMBL7225398 | 1.00 | NAPRT (0.47) | NAPRTKDM4EPOLBALDH1A1PKM | |
| SCHEMBL7230439 | 0.83 | TAAR1 (0.53) | KDM4EPOLBALDH1A1TAAR1 | |
| SCHEMBL7452644 | 0.83 | TAAR1 (0.53) | KDM4EPOLBALDH1A1TAAR1 | |
| SCHEMBL7452648 | 0.83 | TAAR1 (0.53) | KDM4EPOLBALDH1A1TAAR1 | |
| SCHEMBL5002695 | 0.82 | HSD17B10 (0.56) | KDM4EALDH1A1HSD17B10TAAR1 | |
| SCHEMBL7223358 | 0.82 | HSD17B10 (0.56) | KDM4EALDH1A1HSD17B10TAAR1 | |
| SCHEMBL1818892 | 0.76 | NAPRT (0.46) | NAPRTKDM4EPOLBALDH1A1TSHR | |
| SCHEMBL11404025 | 0.75 | HSD17B10 (0.37) | NAPRTKDM4ETSHRHSD17B10 | |
| SCHEMBL23235646 | 0.73 | GRM2 (0.44) | TSHRHSD17B10TAAR1 |
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-1161416-A1 | ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS | Elan Pharmaceuticals, Inc. (US) | 2001-12-12 | — | — | EP | disclosed |
| WO-2000051974-A1 | ALPHA-AMINOACETIC ACID DERIVATIVES USEFUL AS ALPHA 4 BETA 7 - RECEPTOR ANTAGONISTS | ELAN PHARMACEUTICALS, INC. (US) | 2000-09-08 | — | — | WO | disclosed |