Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | FKBP1A | P62942 | 9/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8049268 | 0.84 | FKBP1A (0.52) | ALDH1A1FKBP1ASIGMAR1KMT2A | |
| SCHEMBL8046810 | 0.75 | SMYD3 (0.35) | ALDH1A1TDP1KMT2ASMYD3 | |
| SCHEMBL8043206 | 0.75 | GRIN2B (0.39) | SMYD3 | |
| SCHEMBL8048468 | 0.75 | HPGD (0.41) | ALDH1A1KMT2ASMYD3 | |
| SCHEMBL8046739 | 0.72 | TACR1 (0.35) | SMYD3 | |
| SCHEMBL8043737 | 0.70 | SMYD3 (0.42) | SMYD3 | |
| SCHEMBL8043736 | 0.70 | SMYD3 (0.42) | SMYD3 | |
| SCHEMBL8044025 | 0.69 | SMYD3 (0.38) | ALDH1A1TDP1KMT2ASMYD3 | |
| SCHEMBL8044030 | 0.69 | SMYD3 (0.38) | ALDH1A1TDP1KMT2ASMYD3 | |
| SCHEMBL8048750 | 0.68 | TUBB4A (0.41) | ALDH1A1FKBP1ASIGMAR1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004010617-A | AZA-BICYCLIC ROTOMASE INHIBITOR | PFIZER PROD INC | 2004-01-15 | — | — | JP | disclosed |
| US-6121280-A | Azabicyclic rotomase inhibitors | PFIZER INC. (US) | 2000-09-19 | — | — | US | disclosed |
| EP-0947506-A1 | 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors | Pfizer Products Inc. (US) | 1999-10-06 | — | — | EP | disclosed |