Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | F2 | P00734 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.38 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.38 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3536589 | 0.98 | FFAR1 (0.47) | FFAR1ALDH1A1RAB9ANPC1P4HTM | |
| SCHEMBL29935643 | 0.81 | FFAR1 (0.51) | FFAR1ALDH1A1RAB9ANPC1P4HTM | |
| SCHEMBL8663044 | 0.81 | CYP4F2 (0.58) | FFAR1ALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL24867549 | 0.80 | FFAR1 (0.69) | FFAR1ALDH1A1P4HTMNAPRT | |
| SCHEMBL5717114 | 0.78 | ALDH1A1 (0.58) | FFAR1ALDH1A1RAB9ANPC1P4HTM | |
| SCHEMBL5012153 | 0.77 | ALDH1A1 (0.49) | FFAR1ALDH1A1RAB9ANPC1MEN1 | |
| SCHEMBL8496431 | 0.75 | FFAR1 (0.44) | FFAR1ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL4624381 | 0.74 | GAA (0.43) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL6665672 | 0.72 | CYP4Z1 (0.50) | ALDH1A1RAB9ANPC1MEN1KMT2A | |
| SCHEMBL5606900 | 0.72 | ESR1 (0.50) | ALDH1A1MEN1KMT2AATMMAPT |
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-1133489-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-09-19 | — | — | EP | disclosed |
| WO-2001023376-A1 | ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2001-04-05 | — | — | WO | disclosed |