Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.68 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| Isonicotinic Acid SCHEMBL9167344 | 1.00 | NAPRT (0.68) | NAPRTMAOAMAOBPTGS2KMT2A | |
| Terephthalic Acid SCHEMBL28489170 | 0.85 | TSHR (0.60) | NAPRTKMT2AMEN1CYP1A2CYP2C19 | |
| Isonicotinic Acid SCHEMBL3908497 | 0.83 | NAPRT (0.90) | NAPRTKMT2AMEN1CYP1A2CYP3A4 | |
| Isonicotinic Acid SCHEMBL1108 | 0.82 | — | — | |
| Isonicotinic Acid SCHEMBL1414914 | 0.82 | NAPRT (1.00) | NAPRTKMT2AMEN1CYP1A2CYP3A4 | |
| Isonicotinic Acid SCHEMBL27825946 | 0.82 | NAPRT (0.65) | NAPRTMAOAMAOBPTGS2KMT2A | |
| Benzoic Acid SCHEMBL15658034 | 0.81 | TSHR (0.64) | NAPRTKMT2ACYP3A4CYP2C19TP53 | |
| Isonicotinic Acid SCHEMBL28533400 | 0.81 | NAPRT (0.85) | NAPRTKMT2AMEN1CYP1A2CYP3A4 | |
| Isonicotinic Acid SCHEMBL6877555 | 0.81 | NAPRT (0.85) | NAPRTKMT2AMEN1CYP1A2CYP3A4 | |
| Isonicotinic Acid SCHEMBL28323540 | 0.81 | NAPRT (0.85) | NAPRTKMT2AMEN1CYP1A2CYP3A4 |
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-5455234-A | Applying inhibitor of cysteine pathway enzyme topically to skin; cosmetic for face, arms, legs | AHLUWALIA GURPREET S (US) | 1995-10-03 | — | — | US | disclosed |