Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.34 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.32 |
| ▸ | SELE | P16581 | 1/20 | 0.32 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.32 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27350513 | 0.91 | ACHE (0.35) | TDP1ACHECHRNA7DNMT1NPC1 | |
| SCHEMBL27350517 | 0.82 | CHRNA7 (0.31) | CHRNA7ALDH1A1TSHRKCNH2 | |
| SCHEMBL27350509 | 0.80 | CYP2A6 (0.35) | TDP1DNMT1RAB9AMAPTALDH1A1 | |
| SCHEMBL24398866 | 0.79 | ATM (0.39) | TDP1ACHEALDH1A1MEN1KMT2A | |
| SCHEMBL19903270 | 0.79 | MAOA (0.39) | NPC1RAB9AALDH1A1MEN1KMT2A | |
| SCHEMBL4440553 | 0.79 | ALDH1A1 (0.37) | TDP1ACHECHRNA7DNMT1NPC1 | |
| SCHEMBL18602990 | 0.78 | SMN1; SMN2 (0.42) | MAPTALDH1A1TSHRMGLLKCNH2 | |
| SCHEMBL608200 | 0.76 | ALDH1A1 (0.54) | MAPTALDH1A1HPGDCYP2A6 | |
| SCHEMBL20323528 | 0.76 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL611208 | 0.74 | HPGD (0.46) | ACHENPC1RAB9AMAPTALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5478941-A | Useful in treatment of asthma, allergies, inflammation and anxiety; antihistaminic activity | U C B, S.A. (BE) | 1995-12-26 | — | — | US | disclosed |