Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.46 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7227687 | 0.78 | CA1 (0.60) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL358973 | 0.78 | ALDH1A1 (0.59) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL11442190 | 0.74 | CA1 (0.55) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL11441965 | 0.74 | ADORA2A (0.53) | TDP1MEN1KMT2ATSHRCYP1A2 | |
| Nitrogen SCHEMBL27853237 | 0.73 | ALDH1A1 (0.54) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL11003051 | 0.73 | ALDH1A1 (0.67) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| Aniline SCHEMBL22169132 | 0.73 | ALDH1A1 (0.54) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL5693313 | 0.73 | MAPT (0.58) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL11439546 | 0.72 | CA1 (0.67) | ALDH1A1PTGS1TDP1ADRA2BCA1 | |
| SCHEMBL1014275 | 0.72 | ALDH1A1 (0.50) | ALDH1A1PTGS1TDP1ADRA2BCA1 |
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-4183955-A | Troponyl-oxamic acid derivatives for treating allergic conditions | Ayerst. McKenna & Harrison Limited (CA) | 1980-01-15 | — | — | US | disclosed |
| US-4125625-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LIMITED (CA) | 1978-11-14 | — | — | US | disclosed |
| US-4057556-A | ANTIALLERGENS | AYERST, MCKENNA & HARRISON LTD. (CA) | 1977-11-08 | — | — | US | disclosed |